Alofanib
3-[(4-methyl-2-nitro-5-pyridin-3-ylphenyl)sulfamoyl]benzoic acid
Molecular Identity
Alofanib
3-[(4-methyl-2-nitro-5-pyridin-3-ylphenyl)sulfamoyl]benzoic acid
PubChem CID: 86280646
2D Structure
Properties
C19H15N3O6S
Molecular Formula
413.40
Molecular Weight
g/mol
413.0682
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
151
TPSA
May have limited oral absorption
2
H-Bond Donors
8
H-Bond Acceptors
704
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=C(C=C1C2=CN=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O)[N+](=O)[O-]Isomeric SMILES
SMILES: CC1=CC(=C(C=C1C2=CN=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O)[N+](=O)[O-]Synonyms(20)
Alofanib1612888-66-0RPT835RPT-835LQX7RFK8MZES000835Benzoic acid, 3-(((4-methyl-2-nitro-5-(3-pyridinyl)phenyl)amino)sulfonyl)-alofanibumRefChem:110963RPT 8353-(N-(4-methyl-2-nitro-5-(pyridin-3-yl)phenyl)sulfamoyl)benzoic acidRPT-835(alofanib)Alofanib [INN]Alofanib (RPT835)MFCD30533418
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Alofanib
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