4-methyl-N-(1-phenylimidazol-2-yl)benzenesulfonamide

C16H15N3O2S — CID 10519258

IUPAC4-methyl-N-(1-phenylimidazol-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nccn2-c2ccccc2)cc1
InChIInChI=1S/C16H15N3O2S/c1-13-7-9-15(10-8-13)22(20,21)18-16-17-11-12-19(16)14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)
InChIKeyPAJKWSHGPGZBGI-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.98
Rot. Bonds4

About 4-methyl-N-(1-phenylimidazol-2-yl)benzenesulfonamide

4-methyl-N-(1-phenylimidazol-2-yl)benzenesulfonamide (PubChem CID 10519258) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-methyl-N-(1-phenylimidazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-phenylimidazol-2-yl)benzenesulfonamide
PubChem CID10519258
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name4-methyl-N-(1-phenylimidazol-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nccn2-c2ccccc2)cc1
InChIInChI=1S/C16H15N3O2S/c1-13-7-9-15(10-8-13)22(20,21)18-16-17-11-12-19(16)14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)
InChIKeyPAJKWSHGPGZBGI-UHFFFAOYSA-N
XLogP2.98
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)imidazol-2-yl]-4-methylbenzenesulfonamide
CID 10521634
4-methyl-N-(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 10596607
4-methyl-N-(6-oxo-1,4,5-triphenylpyrimidin-2-yl)benzenesulfonamide
CID 15364860
N-(2-methylphenyl)-1-phenylimidazol-2-amine
CID 106560579
4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 91968264
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]-4-phenylbenzenesulfonamide
CID 121135336
3,4-dimethyl-N-(4-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 75396715
4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzenesulfonamide
CID 17220334
4-tert-butyl-N-[4-(2-methylimidazol-1-yl)phenyl]benzenesulfonamide
CID 35764196
4-methyl-N-[3-(2-phenoxyethoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075750
N-[4-(2-methylimidazol-1-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 35764194

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-phenylimidazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-phenylimidazol-2-yl)benzenesulfonamide (CID 10519258) is 4-methyl-N-(1-phenylimidazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-phenylimidazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-phenylimidazol-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nccn2-c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(1-phenylimidazol-2-yl)benzenesulfonamide?
The InChIKey is PAJKWSHGPGZBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-13-7-9-15(10-8-13)22(20,21)18-16-17-11-12-19(16)14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18).
What are the key properties of 4-methyl-N-(1-phenylimidazol-2-yl)benzenesulfonamide?
4-methyl-N-(1-phenylimidazol-2-yl)benzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-phenylimidazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 10519258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).