1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide

C16H15N3O2S — CID 46897915

IUPAC1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C16H15N3O2S/c1-19-11-16(17-12-19)22(20,21)18-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12,18H,1H3
InChIKeyXUHPJQNEIIOOHN-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.89
Rot. Bonds4

About 1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide

1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide (PubChem CID 46897915) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide
PubChem CID46897915
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C16H15N3O2S/c1-19-11-16(17-12-19)22(20,21)18-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12,18H,1H3
InChIKeyXUHPJQNEIIOOHN-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1-methylimidazole-4-sulfonamide
CID 46897919
N-[4-(bromomethyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 114296733
N-(6-bromo-3-pyridinyl)-1-methylimidazole-4-sulfonamide
CID 103775515
cyclopropane;ethane;1-methyl-N-(4-propan-2-ylphenyl)imidazole-4-sulfonamide
CID 153363584
N-[4-(2-aminoethoxy)phenyl]-1-methylimidazole-4-sulfonamide
CID 62375102
N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide
CID 97355076
N-(3-hydroxy-4-methylphenyl)-1-methylimidazole-4-sulfonamide
CID 64794060
N-[4-(3-hydroxyprop-1-ynyl)phenyl]-1-methylimidazole-4-sulfonamide
CID 62374305
2-hydroxy-4-[(1-methylimidazol-4-yl)sulfonylamino]benzoic acid
CID 62375790
N-(4-amino-3-chlorophenyl)-1-methylimidazole-4-sulfonamide
CID 55068329
2-[(1-methylimidazol-4-yl)sulfonylamino]benzenesulfonyl fluoride
CID 116814330
1-methyl-N-(1H-pyrazol-4-yl)imidazole-4-sulfonamide
CID 62373633

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide (CID 46897915) is 1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of 1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide?
The InChIKey is XUHPJQNEIIOOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-19-11-16(17-12-19)22(20,21)18-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12,18H,1H3.
What are the key properties of 1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide?
1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide has a molecular weight of 313.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-phenylphenyl)imidazole-4-sulfonamide is sourced from PubChem (CID 46897915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).