4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide

C17H16ClN3O2S — CID 92679891

IUPAC4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1nccn1-c1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2S/c1-13-19-10-11-21(13)17-5-3-2-4-14(17)12-20-24(22,23)16-8-6-15(18)7-9-16/h2-11,20H,12H2,1H3
InChIKeyZPQANDOAHLTQJW-UHFFFAOYSA-N
MW361.85 g/mol
LogP3.31
Rot. Bonds5

About 4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide

4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 92679891) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is 4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
PubChem CID92679891
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC Name4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1nccn1-c1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClN3O2S/c1-13-19-10-11-21(13)17-5-3-2-4-14(17)12-20-24(22,23)16-8-6-15(18)7-9-16/h2-11,20H,12H2,1H3
InChIKeyZPQANDOAHLTQJW-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 46764245
4-fluoro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 38013699
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92682729
1,3-dimethyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2,4-dioxopyrimidine-5-sulfonamide
CID 47080525
2-methoxy-N-methyl-5-[[2-(2-methylimidazol-1-yl)phenyl]methylsulfamoyl]benzamide
CID 92678172
4-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 46771117
4-chloro-N-[(2-chlorophenyl)methyl]benzenesulfonamide
CID 2492101
(2R)-2-(4-chlorophenyl)sulfanyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 94015798
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 30305069
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 46778113
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30305918

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide (CID 92679891) is 4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide is Cc1nccn1-c1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is ZPQANDOAHLTQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-13-19-10-11-21(13)17-5-3-2-4-14(17)12-20-24(22,23)16-8-6-15(18)7-9-16/h2-11,20H,12H2,1H3.
What are the key properties of 4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide?
4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 361.85 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 92679891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).