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

C14H13ClN2O3S — CID 5200039

IUPAC1-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H13ClN2O3S/c1-10-5-7-13(8-6-10)21(19,20)17-14(18)16-12-4-2-3-11(15)9-12/h2-9H,1H3,(H2,16,17,18)
InChIKeyHGSGMOBRNKXSJY-UHFFFAOYSA-N
MW324.79 g/mol
LogP3.16
Rot. Bonds3

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

1-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 5200039) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylurea
PubChem CID5200039
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name1-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C14H13ClN2O3S/c1-10-5-7-13(8-6-10)21(19,20)17-14(18)16-12-4-2-3-11(15)9-12/h2-9H,1H3,(H2,16,17,18)
InChIKeyHGSGMOBRNKXSJY-UHFFFAOYSA-N
XLogP3.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylurea (CID 5200039) is 1-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is HGSGMOBRNKXSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-10-5-7-13(8-6-10)21(19,20)17-14(18)16-12-4-2-3-11(15)9-12/h2-9H,1H3,(H2,16,17,18).
What are the key properties of 1-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylurea?
1-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 324.79 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 5200039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).