1-benzyl-3-(4-methylphenyl)sulfonylurea

C15H16N2O3S — CID 788085

IUPAC1-benzyl-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C15H16N2O3S/c1-12-7-9-14(10-8-12)21(19,20)17-15(18)16-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,16,17,18)
InChIKeyTYCNEYCZTJHLJI-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.18
Rot. Bonds4

About 1-benzyl-3-(4-methylphenyl)sulfonylurea

1-benzyl-3-(4-methylphenyl)sulfonylurea (PubChem CID 788085) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-benzyl-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-benzyl-3-(4-methylphenyl)sulfonylurea
PubChem CID788085
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name1-benzyl-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C15H16N2O3S/c1-12-7-9-14(10-8-12)21(19,20)17-15(18)16-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,16,17,18)
InChIKeyTYCNEYCZTJHLJI-UHFFFAOYSA-N
XLogP2.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-benzyl-3-(4-methylphenyl)sulfonylurea (CID 788085) is 1-benzyl-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-benzyl-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-benzyl-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)NCc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-3-(4-methylphenyl)sulfonylurea?
The InChIKey is TYCNEYCZTJHLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-12-7-9-14(10-8-12)21(19,20)17-15(18)16-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,16,17,18).
What are the key properties of 1-benzyl-3-(4-methylphenyl)sulfonylurea?
1-benzyl-3-(4-methylphenyl)sulfonylurea has a molecular weight of 304.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 788085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).