4-chloro-N-[1-[6-chloro-5-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide

C19H19Cl2F2N3O2S — CID 143667876

IUPAC4-chloro-N-[1-[6-chloro-5-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide
SMILESCCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cc(C(C)(F)F)c(Cl)cc21
InChIInChI=1S/C19H19Cl2F2N3O2S/c1-4-26-17-10-15(21)14(19(3,22)23)9-16(17)24-18(26)11(2)25-29(27,28)13-7-5-12(20)6-8-13/h5-11,25H,4H2,1-3H3
InChIKeyNIEHMCDCQUCTAR-UHFFFAOYSA-N
MW462.35 g/mol
LogP5.51
Rot. Bonds6

About 4-chloro-N-[1-[6-chloro-5-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide

4-chloro-N-[1-[6-chloro-5-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide (PubChem CID 143667876) has the molecular formula C19H19Cl2F2N3O2S and a molecular weight of 462.35 g/mol. Its IUPAC name is 4-chloro-N-[1-[6-chloro-5-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-[6-chloro-5-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide
PubChem CID143667876
Molecular FormulaC19H19Cl2F2N3O2S
Molecular Weight462.35 g/mol
Exact Mass461.05
IUPAC Name4-chloro-N-[1-[6-chloro-5-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide
SMILESCCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cc(C(C)(F)F)c(Cl)cc21
InChIInChI=1S/C19H19Cl2F2N3O2S/c1-4-26-17-10-15(21)14(19(3,22)23)9-16(17)24-18(26)11(2)25-29(27,28)13-7-5-12(20)6-8-13/h5-11,25H,4H2,1-3H3
InChIKeyNIEHMCDCQUCTAR-UHFFFAOYSA-N
XLogP5.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.35
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[1-[6-chloro-5-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide with MolForge

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Related Compounds

N-[(1R)-1-[5-bromo-6-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]-4-chlorobenzenesulfonamide
CID 71098176
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-[(1S)-1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
CID 91059115
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
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-fluorobenzenesulfonamide
CID 59177065
3-chloro-N-[1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
CID 72535695
4-amino-N-[1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
CID 68647024
3-amino-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-4-fluorobenzenesulfonamide
CID 89272255
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-1-oxidopyridin-1-ium-4-sulfonamide
CID 59177112
4-cyano-N-[1-[1-ethyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]ethyl]benzenesulfonamide
CID 68646635

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[6-chloro-5-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-[6-chloro-5-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide (CID 143667876) is 4-chloro-N-[1-[6-chloro-5-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-[6-chloro-5-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-[6-chloro-5-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide is CCn1c(C(C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cc(C(C)(F)F)c(Cl)cc21.
What is the InChIKey of 4-chloro-N-[1-[6-chloro-5-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide?
The InChIKey is NIEHMCDCQUCTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2F2N3O2S/c1-4-26-17-10-15(21)14(19(3,22)23)9-16(17)24-18(26)11(2)25-29(27,28)13-7-5-12(20)6-8-13/h5-11,25H,4H2,1-3H3.
What are the key properties of 4-chloro-N-[1-[6-chloro-5-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide?
4-chloro-N-[1-[6-chloro-5-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide has a molecular weight of 462.35 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[6-chloro-5-(1,1-difluoroethyl)-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 143667876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).