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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).