1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea

C15H16N2O3S — CID 15716439

IUPAC1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea
SMILESCc1ccc(S(=O)(=O)N(C)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H16N2O3S/c1-12-8-10-14(11-9-12)21(19,20)17(2)15(18)16-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,16,18)
InChIKeyQZVNKEGBUHOZEG-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.85
Rot. Bonds3

About 1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea

1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea (PubChem CID 15716439) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea.

Molecular Properties

Compound Name1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea
PubChem CID15716439
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea
SMILESCc1ccc(S(=O)(=O)N(C)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C15H16N2O3S/c1-12-8-10-14(11-9-12)21(19,20)17(2)15(18)16-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,16,18)
InChIKeyQZVNKEGBUHOZEG-UHFFFAOYSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
3-ethyl-1-methyl-1-(4-methylphenyl)sulfonylurea
CID 15716436
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-(benzenesulfonyl)-N'-methyl-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135052084
N-[(Z)-1-[bis(benzenesulfonyl)amino]prop-1-enyl]-N,4-dimethylbenzenesulfonamide
CID 122208308
N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2873223
N-[(E)-1-chloro-2-phenylethenyl]-N,4-dimethylbenzenesulfonamide
CID 155490363
2-[(4-methylphenyl)sulfonylamino]-N-phenylpropanamide
CID 5205930
N-methyl-N-(phenylcarbamoyl)carbamate
CID 22769928
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-phenylacetamide
CID 51345395
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-(4-methylphenyl)acetamide
CID 100787567
ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
CID 12963006

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea?
The IUPAC name of 1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea (CID 15716439) is 1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea.
What is the SMILES notation for 1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea?
The canonical SMILES for 1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea is Cc1ccc(S(=O)(=O)N(C)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea?
The InChIKey is QZVNKEGBUHOZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-12-8-10-14(11-9-12)21(19,20)17(2)15(18)16-13-6-4-3-5-7-13/h3-11H,1-2H3,(H,16,18).
What are the key properties of 1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea?
1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea has a molecular weight of 304.37 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(4-methylphenyl)sulfonyl-3-phenylurea is sourced from PubChem (CID 15716439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).