N-(2-imidazol-1-ylphenyl)benzenesulfonamide

C15H13N3O2S — CID 64592915

IUPACN-(2-imidazol-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1ccnc1)c1ccccc1
InChIInChI=1S/C15H13N3O2S/c19-21(20,13-6-2-1-3-7-13)17-14-8-4-5-9-15(14)18-11-10-16-12-18/h1-12,17H
InChIKeyLWDWRCLCWNSASX-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.67
Rot. Bonds4

About N-(2-imidazol-1-ylphenyl)benzenesulfonamide

N-(2-imidazol-1-ylphenyl)benzenesulfonamide (PubChem CID 64592915) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(2-imidazol-1-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylphenyl)benzenesulfonamide
PubChem CID64592915
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC NameN-(2-imidazol-1-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1-n1ccnc1)c1ccccc1
InChIInChI=1S/C15H13N3O2S/c19-21(20,13-6-2-1-3-7-13)17-14-8-4-5-9-15(14)18-11-10-16-12-18/h1-12,17H
InChIKeyLWDWRCLCWNSASX-UHFFFAOYSA-N
XLogP2.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-imidazol-1-ylphenyl)-1,3-thiazole-5-sulfonamide
CID 61052341
N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 46771026
3-(benzenesulfonamido)-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 28565306
N-(2-imidazol-1-ylphenyl)imidazole-1-carboxamide
CID 81257478
N-[(2-imidazol-1-ylphenyl)methyl]-4-phenoxybenzenesulfonamide
CID 46772764
4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]benzenesulfonamide
CID 60580487
N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide
CID 12911535
2-(2-imidazol-1-ylanilino)butanoic acid
CID 115352432
N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
CID 62392271
N-(2-imidazol-1-ylphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 100904519
N-(2-imidazol-1-ylphenyl)-2-(propan-2-ylamino)acetamide
CID 60842536
N-(2-ethylbutyl)-2-imidazol-1-ylaniline
CID 43673499

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylphenyl)benzenesulfonamide?
The IUPAC name of N-(2-imidazol-1-ylphenyl)benzenesulfonamide (CID 64592915) is N-(2-imidazol-1-ylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(2-imidazol-1-ylphenyl)benzenesulfonamide?
The canonical SMILES for N-(2-imidazol-1-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1-n1ccnc1)c1ccccc1.
What is the InChIKey of N-(2-imidazol-1-ylphenyl)benzenesulfonamide?
The InChIKey is LWDWRCLCWNSASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c19-21(20,13-6-2-1-3-7-13)17-14-8-4-5-9-15(14)18-11-10-16-12-18/h1-12,17H.
What are the key properties of N-(2-imidazol-1-ylphenyl)benzenesulfonamide?
N-(2-imidazol-1-ylphenyl)benzenesulfonamide has a molecular weight of 299.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 64592915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).