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

C15H15ClN2O4S — CID 14763034

IUPAC1-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCOc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C15H15ClN2O4S/c1-10-3-6-12(7-4-10)23(20,21)18-15(19)17-11-5-8-14(22-2)13(16)9-11/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyVVLNCFOZRBBKGE-UHFFFAOYSA-N
MW354.82 g/mol
LogP3.17
Rot. Bonds4

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

1-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 14763034) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea
PubChem CID14763034
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCOc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1Cl
InChIInChI=1S/C15H15ClN2O4S/c1-10-3-6-12(7-4-10)23(20,21)18-15(19)17-11-5-8-14(22-2)13(16)9-11/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyVVLNCFOZRBBKGE-UHFFFAOYSA-N
XLogP3.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea (CID 14763034) is 1-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea is COc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is VVLNCFOZRBBKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c1-10-3-6-12(7-4-10)23(20,21)18-15(19)17-11-5-8-14(22-2)13(16)9-11/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea?
1-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 354.82 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 14763034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).