1-(3,5-dimethylphenyl)-3-(4-sulfamoylphenyl)urea

C15H17N3O3S — CID 27868075

IUPAC1-(3,5-dimethylphenyl)-3-(4-sulfamoylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H17N3O3S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)
InChIKeySPEYBQKWONGMOH-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.59
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-3-(4-sulfamoylphenyl)urea

1-(3,5-dimethylphenyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 27868075) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(4-sulfamoylphenyl)urea
PubChem CID27868075
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name1-(3,5-dimethylphenyl)-3-(4-sulfamoylphenyl)urea
SMILESCc1cc(C)cc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C15H17N3O3S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)
InChIKeySPEYBQKWONGMOH-UHFFFAOYSA-N
XLogP2.59
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dimethylphenyl)-3-(4-sulfamoylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(4-sulfamoylphenyl)urea (CID 27868075) is 1-(3,5-dimethylphenyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(4-sulfamoylphenyl)urea is Cc1cc(C)cc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is SPEYBQKWONGMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-(3,5-dimethylphenyl)-3-(4-sulfamoylphenyl)urea?
1-(3,5-dimethylphenyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 319.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 27868075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).