4-chloro-N-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide

C16H17ClN4O2S — CID 91059115

IUPAC4-chloro-N-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
SMILESCCn1c([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cnccc21
InChIInChI=1S/C16H17ClN4O2S/c1-3-21-15-8-9-18-10-14(15)19-16(21)11(2)20-24(22,23)13-6-4-12(17)5-7-13/h4-11,20H,3H2,1-2H3/t11-/m0/s1
InChIKeyOTNJLOBFUMVRLU-NSHDSACASA-N
MW364.86 g/mol
LogP3.14
Rot. Bonds5

About 4-chloro-N-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide

4-chloro-N-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide (PubChem CID 91059115) has the molecular formula C16H17ClN4O2S and a molecular weight of 364.86 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
PubChem CID91059115
Molecular FormulaC16H17ClN4O2S
Molecular Weight364.86 g/mol
Exact Mass364.08
IUPAC Name4-chloro-N-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
SMILESCCn1c([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cnccc21
InChIInChI=1S/C16H17ClN4O2S/c1-3-21-15-8-9-18-10-14(15)19-16(21)11(2)20-24(22,23)13-6-4-12(17)5-7-13/h4-11,20H,3H2,1-2H3/t11-/m0/s1
InChIKeyOTNJLOBFUMVRLU-NSHDSACASA-N
XLogP3.14
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.86
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]-4-fluorobenzenesulfonamide
CID 72535614
4-chloro-N-[1-(6-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177181
2-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-3-ethylbenzimidazole-5-carboxamide
CID 68647103
4-chloro-N-[1-(3-chloro-5-ethylimidazo[4,5-c]pyridazin-6-yl)ethyl]benzenesulfonamide
CID 72535691
4-chloro-N-[(1R)-1-(1-ethyl-4-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177269
4-chloro-N-[1-[6-chloro-5-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide
CID 143667876
N-[(1R)-1-[5-bromo-6-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]-4-chlorobenzenesulfonamide
CID 71098176
4-amino-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
CID 89272257
4-chloro-N-[1-(4-ethyl-5-methylsulfinyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 76596899
4-cyano-N-[1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]benzenesulfonamide
CID 68646635
4-amino-N-[1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
CID 68647024
N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]-4-isocyanobenzenesulfonamide
CID 59177267

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide (CID 91059115) is 4-chloro-N-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide is CCn1c([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cnccc21.
What is the InChIKey of 4-chloro-N-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide?
The InChIKey is OTNJLOBFUMVRLU-NSHDSACASA-N. The full InChI is InChI=1S/C16H17ClN4O2S/c1-3-21-15-8-9-18-10-14(15)19-16(21)11(2)20-24(22,23)13-6-4-12(17)5-7-13/h4-11,20H,3H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide?
4-chloro-N-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide has a molecular weight of 364.86 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 91059115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).