4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide

C17H16ClN3O2S — CID 51429093

IUPAC4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H16ClN3O2S/c1-13(20-24(22,23)17-8-4-15(18)5-9-17)14-2-6-16(7-3-14)21-11-10-19-12-21/h2-13,20H,1H3/t13-/m0/s1
InChIKeyDKKWUQZUXMLNGV-ZDUSSCGKSA-N
MW361.85 g/mol
LogP3.57
Rot. Bonds5

About 4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide

4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide (PubChem CID 51429093) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is 4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
PubChem CID51429093
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC Name4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C17H16ClN3O2S/c1-13(20-24(22,23)17-8-4-15(18)5-9-17)14-2-6-16(7-3-14)21-11-10-19-12-21/h2-13,20H,1H3/t13-/m0/s1
InChIKeyDKKWUQZUXMLNGV-ZDUSSCGKSA-N
XLogP3.57
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 46799865
4-bromo-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 40663815
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-nitrobenzenesulfonamide
CID 40663817
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 40663889
3-ethoxy-4-fluoro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 7307545
4-bromo-2-chloro-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 25352209
4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 110867679
1-[4-[(1R)-1-(sulfamoylamino)ethyl]phenyl]imidazole
CID 97088566
3-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 17441104
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]azetidine-1-sulfonamide
CID 166308955
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-methyl-5-nitrobenzenesulfonamide
CID 7306030
4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 40744824

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide (CID 51429093) is 4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide?
The InChIKey is DKKWUQZUXMLNGV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-13(20-24(22,23)17-8-4-15(18)5-9-17)14-2-6-16(7-3-14)21-11-10-19-12-21/h2-13,20H,1H3/t13-/m0/s1.
What are the key properties of 4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide?
4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide has a molecular weight of 361.85 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 51429093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).