1-(4-methylphenyl)sulfonyl-3-(4-sulfamoylphenyl)urea

C14H15N3O5S2 — CID 6852128

IUPAC1-(4-methylphenyl)sulfonyl-3-(4-sulfamoylphenyl)urea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H15N3O5S2/c1-10-2-6-13(7-3-10)24(21,22)17-14(18)16-11-4-8-12(9-5-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
InChIKeyHDCXQTPVTAIPNZ-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.15
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-3-(4-sulfamoylphenyl)urea

1-(4-methylphenyl)sulfonyl-3-(4-sulfamoylphenyl)urea (PubChem CID 6852128) has the molecular formula C14H15N3O5S2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-(4-sulfamoylphenyl)urea
PubChem CID6852128
Molecular FormulaC14H15N3O5S2
Molecular Weight369.42 g/mol
Exact Mass369.05
IUPAC Name1-(4-methylphenyl)sulfonyl-3-(4-sulfamoylphenyl)urea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C14H15N3O5S2/c1-10-2-6-13(7-3-10)24(21,22)17-14(18)16-11-4-8-12(9-5-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
InChIKeyHDCXQTPVTAIPNZ-UHFFFAOYSA-N
XLogP1.15
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(4-methylphenyl)sulfonyl-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-(4-methylphenyl)sulfonyl-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-(4-sulfamoylphenyl)urea (CID 6852128) is 1-(4-methylphenyl)sulfonyl-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-(4-sulfamoylphenyl)urea is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-(4-sulfamoylphenyl)urea?
The InChIKey is HDCXQTPVTAIPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S2/c1-10-2-6-13(7-3-10)24(21,22)17-14(18)16-11-4-8-12(9-5-11)23(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18).
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-(4-sulfamoylphenyl)urea?
1-(4-methylphenyl)sulfonyl-3-(4-sulfamoylphenyl)urea has a molecular weight of 369.42 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 6852128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).