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

C15H16N2O3S — CID 4601601

IUPAC1-(3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C15H16N2O3S/c1-11-6-8-14(9-7-11)21(19,20)17-15(18)16-13-5-3-4-12(2)10-13/h3-10H,1-2H3,(H2,16,17,18)
InChIKeyMBSWUVXOONKRTJ-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.81
Rot. Bonds3

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

1-(3-methylphenyl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 4601601) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
PubChem CID4601601
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name1-(3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C15H16N2O3S/c1-11-6-8-14(9-7-11)21(19,20)17-15(18)16-13-5-3-4-12(2)10-13/h3-10H,1-2H3,(H2,16,17,18)
InChIKeyMBSWUVXOONKRTJ-UHFFFAOYSA-N
XLogP2.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(3-methylphenyl)-3-(4-methylphenyl)sulfonylurea (CID 4601601) is 1-(3-methylphenyl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(3-methylphenyl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(3-methylphenyl)-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 1-(3-methylphenyl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is MBSWUVXOONKRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-11-6-8-14(9-7-11)21(19,20)17-15(18)16-13-5-3-4-12(2)10-13/h3-10H,1-2H3,(H2,16,17,18).
What are the key properties of 1-(3-methylphenyl)-3-(4-methylphenyl)sulfonylurea?
1-(3-methylphenyl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 304.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 4601601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).