4-chloro-N-[(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide

C17H17Cl2N3O2S — CID 59177212

IUPAC4-chloro-N-[(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cccc(Cl)c21
InChIInChI=1S/C17H17Cl2N3O2S/c1-3-22-16-14(19)5-4-6-15(16)20-17(22)11(2)21-25(23,24)13-9-7-12(18)8-10-13/h4-11,21H,3H2,1-2H3/t11-/m1/s1
InChIKeyFLYXTTPNIGWWKY-LLVKDONJSA-N
MW398.32 g/mol
LogP4.40
Rot. Bonds5

About 4-chloro-N-[(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide

4-chloro-N-[(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 59177212) has the molecular formula C17H17Cl2N3O2S and a molecular weight of 398.32 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide
PubChem CID59177212
Molecular FormulaC17H17Cl2N3O2S
Molecular Weight398.32 g/mol
Exact Mass397.04
IUPAC Name4-chloro-N-[(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide
SMILESCCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cccc(Cl)c21
InChIInChI=1S/C17H17Cl2N3O2S/c1-3-22-16-14(19)5-4-6-15(16)20-17(22)11(2)21-25(23,24)13-9-7-12(18)8-10-13/h4-11,21H,3H2,1-2H3/t11-/m1/s1
InChIKeyFLYXTTPNIGWWKY-LLVKDONJSA-N
XLogP4.40
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.32
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chloro-N-[(1r)-1-[1-Ethyl-6-(Trifluoromethyl)benzimidazol-2-Yl]ethyl]benzenesulfonamide
CID 59177179
4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177011
1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole
CID 746713
1-[(4-chlorophenyl)sulfonyl]-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole
CID 976018
Cambridge id 6957993
CID 1326313
1-((4-Chlorophenyl)sulfonyl)-1H-benzimidazol-2-amine
CID 1088439
4-Chloro-N-[(1R)-1-(1-ethyl-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177019
4-chloro-N-[1-(1-ethylimidazo[4,5-b]pyridin-2-yl)ethyl]benzenesulfonamide
CID 59177064
4-chloro-N-[1-(1-ethylimidazo[4,5-c]pyridin-2-yl)ethyl]benzenesulfonamide
CID 59177101
3-chloro-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]benzenesulfonamide
CID 59177239
N-(1H-benzimidazol-2-yl)-4-chlorobenzenesulfonamide
CID 645632
4-chloro-N-{1-methyl-2-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-5-yl}benzenesulfonamide
CID 667327

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide (CID 59177212) is 4-chloro-N-[(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide is CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cccc(Cl)c21.
What is the InChIKey of 4-chloro-N-[(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is FLYXTTPNIGWWKY-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2S/c1-3-22-16-14(19)5-4-6-15(16)20-17(22)11(2)21-25(23,24)13-9-7-12(18)8-10-13/h4-11,21H,3H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide?
4-chloro-N-[(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 398.32 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 59177212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).