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

C14H13BrN2O3S — CID 563035

IUPAC1-(4-bromophenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H13BrN2O3S/c1-10-2-8-13(9-3-10)21(19,20)17-14(18)16-12-6-4-11(15)5-7-12/h2-9H,1H3,(H2,16,17,18)
InChIKeyVBKHVCJSYJSPJR-UHFFFAOYSA-N
MW369.24 g/mol
LogP3.27
Rot. Bonds3

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

1-(4-bromophenyl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 563035) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4-methylphenyl)sulfonylurea
PubChem CID563035
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC Name1-(4-bromophenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C14H13BrN2O3S/c1-10-2-8-13(9-3-10)21(19,20)17-14(18)16-12-6-4-11(15)5-7-12/h2-9H,1H3,(H2,16,17,18)
InChIKeyVBKHVCJSYJSPJR-UHFFFAOYSA-N
XLogP3.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(4-bromophenyl)-3-(4-methylphenyl)sulfonylurea (CID 563035) is 1-(4-bromophenyl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(4-bromophenyl)-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is VBKHVCJSYJSPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c1-10-2-8-13(9-3-10)21(19,20)17-14(18)16-12-6-4-11(15)5-7-12/h2-9H,1H3,(H2,16,17,18).
What are the key properties of 1-(4-bromophenyl)-3-(4-methylphenyl)sulfonylurea?
1-(4-bromophenyl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 369.24 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 563035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).