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

C14H12Cl2N2O3S — CID 1381597

IUPAC1-(3,4-dichlorophenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H12Cl2N2O3S/c1-9-2-5-11(6-3-9)22(20,21)18-14(19)17-10-4-7-12(15)13(16)8-10/h2-8H,1H3,(H2,17,18,19)
InChIKeyXYVLGEPGWBGRGS-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.81
Rot. Bonds3

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

1-(3,4-dichlorophenyl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 1381597) has the molecular formula C14H12Cl2N2O3S and a molecular weight of 359.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(4-methylphenyl)sulfonylurea
PubChem CID1381597
Molecular FormulaC14H12Cl2N2O3S
Molecular Weight359.23 g/mol
Exact Mass357.99
IUPAC Name1-(3,4-dichlorophenyl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H12Cl2N2O3S/c1-9-2-5-11(6-3-9)22(20,21)18-14(19)17-10-4-7-12(15)13(16)8-10/h2-8H,1H3,(H2,17,18,19)
InChIKeyXYVLGEPGWBGRGS-UHFFFAOYSA-N
XLogP3.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-Chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
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1-(3,4-Dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 2242987
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1-[Amino-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 9818654
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CID 10667766
4-[3-(3,4-Dichloro-phenyl)-5-methyl-2-oxo-2,3-dihydro-oxazol-4-yl]-benzenesulfonamide
CID 10763435
N-(3,4-Dichlorophenyl)-N'-(4-methylphenyl)urea
CID 690137
1-[5-(3,4-dichlorophenyl)-6-imino-4,4-dimethyl-1H-1,3,5-triazin-2-yl]-3-(p-tolylsulfonyl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(4-methylphenyl)sulfonylurea (CID 1381597) is 1-(3,4-dichlorophenyl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is XYVLGEPGWBGRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O3S/c1-9-2-5-11(6-3-9)22(20,21)18-14(19)17-10-4-7-12(15)13(16)8-10/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(4-methylphenyl)sulfonylurea?
1-(3,4-dichlorophenyl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 359.23 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 1381597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).