Jnj-26489112
(2S)-6-chloro-2-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine
Molecular Identity
Jnj-26489112
(2S)-6-chloro-2-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine
PubChem CID: 11616111
2D Structure
Properties
C9H11ClN2O4S
Molecular Formula
278.71
Molecular Weight
g/mol
278.0128
Exact Mass
Da
0.8
XLogP
Drug-like (Lipinski: < 5)
99
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
358
Complexity
SMILES
Canonical SMILES
SMILES: C1C(OC2=C(O1)C=C(C=C2)Cl)CNS(=O)(=O)NIsomeric SMILES
SMILES: C1[C@@H](OC2=C(O1)C=C(C=C2)Cl)CNS(=O)(=O)NSynonyms(20)
JNJ-26489112871824-55-4G1TI012DLTSulfamide, N-(((2S)-6-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)methyl)-DTXSID601031470RefChem:150531DTXCID101516580N-(((2S)-6-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)methyl)aminosulfonamideCHEMBL3092995(2S)-6-chloro-2-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine(2S)-(-)-N-[(6-Chloro-2,3-dihydrobenzo[1,4]dioxin-2-yl)methyl]sulfamideUNII-G1TI012DLTSCHEMBL437342orb1700284KXSAIQPPGSSNKX-ZETCQYMHSA-N
Data from PubChem (NCBI)
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Drug Network
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