1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)sulfonylurea

C15H15ClN2O3S — CID 14480026

IUPAC1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C15H15ClN2O3S/c1-10-3-8-14(9-11(10)2)22(20,21)18-15(19)17-13-6-4-12(16)5-7-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyFBMYZBVIUHFJFP-UHFFFAOYSA-N
MW338.82 g/mol
LogP3.47
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)sulfonylurea

1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)sulfonylurea (PubChem CID 14480026) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)sulfonylurea
PubChem CID14480026
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C15H15ClN2O3S/c1-10-3-8-14(9-11(10)2)22(20,21)18-15(19)17-13-6-4-12(16)5-7-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKeyFBMYZBVIUHFJFP-UHFFFAOYSA-N
XLogP3.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)sulfonylurea?
The IUPAC name of 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)sulfonylurea (CID 14480026) is 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)sulfonylurea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)sulfonylurea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(Cl)cc2)cc1C.
What is the InChIKey of 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)sulfonylurea?
The InChIKey is FBMYZBVIUHFJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-10-3-8-14(9-11(10)2)22(20,21)18-15(19)17-13-6-4-12(16)5-7-13/h3-9H,1-2H3,(H2,17,18,19).
What are the key properties of 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)sulfonylurea?
1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)sulfonylurea has a molecular weight of 338.82 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(3,4-dimethylphenyl)sulfonylurea is sourced from PubChem (CID 14480026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).