1-[(4-chlorophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea

C13H13ClN4O5S2 — CID 118710600

IUPAC1-[(4-chlorophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H13ClN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)
InChIKeySBFNIWKGJOSMEH-UHFFFAOYSA-N
MW404.86 g/mol
LogP1.00
Rot. Bonds5

About 1-[(4-chlorophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea

1-[(4-chlorophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea (PubChem CID 118710600) has the molecular formula C13H13ClN4O5S2 and a molecular weight of 404.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
PubChem CID118710600
Molecular FormulaC13H13ClN4O5S2
Molecular Weight404.86 g/mol
Exact Mass404.00
IUPAC Name1-[(4-chlorophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H13ClN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19)
InChIKeySBFNIWKGJOSMEH-UHFFFAOYSA-N
XLogP1.00
TPSA147.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(4-chlorophenyl)sulfonylamino]-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-chlorophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea (CID 118710600) is 1-[(4-chlorophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea?
The InChIKey is SBFNIWKGJOSMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O5S2/c14-9-1-5-12(6-2-9)25(22,23)18-17-13(19)16-10-3-7-11(8-4-10)24(15,20)21/h1-8,18H,(H2,15,20,21)(H2,16,17,19).
What are the key properties of 1-[(4-chlorophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea?
1-[(4-chlorophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea has a molecular weight of 404.86 g/mol, XLogP of 1.00, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)sulfonylamino]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 118710600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).