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

C16H17FN4O2S — CID 72535614

IUPACN-[1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]-4-fluorobenzenesulfonamide
SMILESCCn1c(C(C)NS(=O)(=O)c2ccc(F)cc2)nc2cnccc21
InChIInChI=1S/C16H17FN4O2S/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
InChIKeyOBXHYNSFBKVHQL-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.63
Rot. Bonds5

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

N-[1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 72535614) has the molecular formula C16H17FN4O2S and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]-4-fluorobenzenesulfonamide
PubChem CID72535614
Molecular FormulaC16H17FN4O2S
Molecular Weight348.40 g/mol
Exact Mass348.11
IUPAC NameN-[1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]-4-fluorobenzenesulfonamide
SMILESCCn1c(C(C)NS(=O)(=O)c2ccc(F)cc2)nc2cnccc21
InChIInChI=1S/C16H17FN4O2S/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
InChIKeyOBXHYNSFBKVHQL-UHFFFAOYSA-N
XLogP2.63
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
CID 91059115
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-fluorobenzenesulfonamide
CID 59177065
4-chloro-N-[1-(6-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177181
4-amino-N-[1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
CID 68647024
4-amino-N-[(1R)-1-(6-cyclopropyl-1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
CID 89272257
4-cyano-N-[1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]benzenesulfonamide
CID 68646635
4-chloro-N-[(1R)-1-(1-ethyl-4-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177269
N-[(1R)-1-(1-ethyl-6-methoxyimidazo[4,5-c]pyridin-2-yl)ethyl]-4-isocyanobenzenesulfonamide
CID 59177267
2-[1-[(4-chlorophenyl)sulfonylamino]ethyl]-3-ethylbenzimidazole-5-carboxamide
CID 68647103
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-1-oxidopyridin-1-ium-4-sulfonamide
CID 59177112
4-chloro-N-[1-[6-chloro-5-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide
CID 143667876
N-[1-[1-ethyl-6-(hydroxymethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
CID 68810030

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]-4-fluorobenzenesulfonamide (CID 72535614) is N-[1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]-4-fluorobenzenesulfonamide is CCn1c(C(C)NS(=O)(=O)c2ccc(F)cc2)nc2cnccc21.
What is the InChIKey of N-[1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is OBXHYNSFBKVHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2S/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.
What are the key properties of N-[1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]-4-fluorobenzenesulfonamide?
N-[1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 348.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 72535614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).