3-(Dimethylsulfamoyl)-4-(8,8,8-trifluorooctylamino)benzoic acid
3-(dimethylsulfamoyl)-4-(8,8,8-trifluorooctylamino)benzoic acid
Molecular Identity
3-(Dimethylsulfamoyl)-4-(8,8,8-trifluorooctylamino)benzoic acid
3-(dimethylsulfamoyl)-4-(8,8,8-trifluorooctylamino)benzoic acid
PubChem CID: 155180028
2D Structure
Properties
C17H25F3N2O4S
Molecular Formula
410.50
Molecular Weight
g/mol
410.1487
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
95.1
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
562
Complexity
SMILES
Canonical SMILES
SMILES: CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)NCCCCCCCC(F)(F)FIsomeric SMILES
SMILES: CN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)NCCCCCCCC(F)(F)FSynonyms(17)
2497525-96-7IAMA-6ARN237463-(Dimethylsulfamoyl)-4-(8,8,8-trifluorooctylamino)benzoic acidorb1739874CHEMBL5076111SCHEMBL22515474GTPL13840ZAJDYPRGNPKHEI-UHFFFAOYSA-NGLXC-24148ARN23746?EX-A12470AT48504AC-38344T69606
Data from PubChem (NCBI)
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Molecular Structure
3-(Dimethylsulfamoyl)-4-(8,8,8-trifluorooctylamino)benzoic acid
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Drug Network
Trials and conditions connected to 3-(Dimethylsulfamoyl)-4-(8,8,8-trifluorooctylamino)benzoic acid
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