4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide

C15H12ClN3O2S — CID 110867679

IUPAC4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O2S/c16-12-1-7-15(8-2-12)22(20,21)18-13-3-5-14(6-4-13)19-10-9-17-11-19/h1-11,18H
InChIKeyKIQPGVHAKJPRNX-UHFFFAOYSA-N
MW333.80 g/mol
LogP3.33
Rot. Bonds4

About 4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide

4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide (PubChem CID 110867679) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is 4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
PubChem CID110867679
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC Name4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClN3O2S/c16-12-1-7-15(8-2-12)22(20,21)18-13-3-5-14(6-4-13)19-10-9-17-11-19/h1-11,18H
InChIKeyKIQPGVHAKJPRNX-UHFFFAOYSA-N
XLogP3.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 110867678
4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 51429093
N-(4-imidazol-1-ylphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110867693
N-(4-imidazol-1-ylphenyl)-3-methylbenzenesulfonamide
CID 3768573
1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea
CID 87013033
2,4-difluoro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 3671490
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
3-chloro-4-fluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 46799865
4-chloro-N-[4-(4-chlorophenoxy)phenyl]benzenesulfonamide
CID 5010043
4-(2-chloroethyl)-N-(4-chlorophenyl)benzenesulfonamide
CID 43662747
4-[4-(4-chlorophenyl)piperazin-1-yl]-N-phenylbenzenesulfonamide
CID 173255445
N-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822397

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide (CID 110867679) is 4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide?
The InChIKey is KIQPGVHAKJPRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c16-12-1-7-15(8-2-12)22(20,21)18-13-3-5-14(6-4-13)19-10-9-17-11-19/h1-11,18H.
What are the key properties of 4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide?
4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide has a molecular weight of 333.80 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 110867679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).