3-chloro-N-[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-methylbenzenesulfonamide

C24H24ClN3O2S — CID 46379345

IUPAC3-chloro-N-[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-methylbenzenesulfonamide
SMILESCCn1c(CCc2ccccc2NS(=O)(=O)c2cccc(Cl)c2C)nc2ccccc21
InChIInChI=1S/C24H24ClN3O2S/c1-3-28-22-13-7-6-12-21(22)26-24(28)16-15-18-9-4-5-11-20(18)27-31(29,30)23-14-8-10-19(25)17(23)2/h4-14,27H,3,15-16H2,1-2H3
InChIKeyVANQYXYRHKKRTI-UHFFFAOYSA-N
MW454.00 g/mol
LogP5.60
Rot. Bonds7

About 3-chloro-N-[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-methylbenzenesulfonamide

3-chloro-N-[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-methylbenzenesulfonamide (PubChem CID 46379345) has the molecular formula C24H24ClN3O2S and a molecular weight of 454.00 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-methylbenzenesulfonamide
PubChem CID46379345
Molecular FormulaC24H24ClN3O2S
Molecular Weight454.00 g/mol
Exact Mass453.13
IUPAC Name3-chloro-N-[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-methylbenzenesulfonamide
SMILESCCn1c(CCc2ccccc2NS(=O)(=O)c2cccc(Cl)c2C)nc2ccccc21
InChIInChI=1S/C24H24ClN3O2S/c1-3-28-22-13-7-6-12-21(22)26-24(28)16-15-18-9-4-5-11-20(18)27-31(29,30)23-14-8-10-19(25)17(23)2/h4-14,27H,3,15-16H2,1-2H3
InChIKeyVANQYXYRHKKRTI-UHFFFAOYSA-N
XLogP5.60
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.00
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-4-[[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]sulfamoyl]phenyl]acetamide
CID 50822824
2-ethyl-N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972046
N-[2-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]methanesulfonamide
CID 46379392
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 50822902
2-(2,6-dichlorophenyl)-N-[(1-ethylbenzimidazol-2-yl)methyl]acetamide
CID 18116699
2,5-dimethoxy-N-[2-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 46379362
N-(3-chloro-2-methylphenyl)-4-ethyl-3-oxoquinoxaline-2-carboxamide
CID 50808152
2-ethyl-N-[2-[2-(2-phenylethyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
CID 53063363
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline
CID 61020284
3-[2-(1-ethylbenzimidazol-2-yl)ethyl]pyridin-2-amine
CID 79750873
3-chloro-2-methyl-N-(6-propyl-2-pyridinyl)benzenesulfonamide
CID 11702579
3-chloro-N-(2,6-difluoro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103098192

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-methylbenzenesulfonamide (CID 46379345) is 3-chloro-N-[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-methylbenzenesulfonamide is CCn1c(CCc2ccccc2NS(=O)(=O)c2cccc(Cl)c2C)nc2ccccc21.
What is the InChIKey of 3-chloro-N-[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-methylbenzenesulfonamide?
The InChIKey is VANQYXYRHKKRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2S/c1-3-28-22-13-7-6-12-21(22)26-24(28)16-15-18-9-4-5-11-20(18)27-31(29,30)23-14-8-10-19(25)17(23)2/h4-14,27H,3,15-16H2,1-2H3.
What are the key properties of 3-chloro-N-[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-methylbenzenesulfonamide?
3-chloro-N-[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-methylbenzenesulfonamide has a molecular weight of 454.00 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 46379345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).