1-(5-chloro-2,4-disulfamoylphenyl)-3-phenylurea

C13H13ClN4O5S2 — CID 10692638

IUPAC1-(5-chloro-2,4-disulfamoylphenyl)-3-phenylurea
SMILESNS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)Nc2ccccc2)cc1Cl
InChIInChI=1S/C13H13ClN4O5S2/c14-9-6-10(18-13(19)17-8-4-2-1-3-5-8)12(25(16,22)23)7-11(9)24(15,20)21/h1-7H,(H2,15,20,21)(H2,16,22,23)(H2,17,18,19)
InChIKeyPOUXOERQTVYJPN-UHFFFAOYSA-N
MW404.86 g/mol
LogP1.28
Rot. Bonds4

About 1-(5-chloro-2,4-disulfamoylphenyl)-3-phenylurea

1-(5-chloro-2,4-disulfamoylphenyl)-3-phenylurea (PubChem CID 10692638) has the molecular formula C13H13ClN4O5S2 and a molecular weight of 404.86 g/mol. Its IUPAC name is 1-(5-chloro-2,4-disulfamoylphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(5-chloro-2,4-disulfamoylphenyl)-3-phenylurea
PubChem CID10692638
Molecular FormulaC13H13ClN4O5S2
Molecular Weight404.86 g/mol
Exact Mass404.00
IUPAC Name1-(5-chloro-2,4-disulfamoylphenyl)-3-phenylurea
SMILESNS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)Nc2ccccc2)cc1Cl
InChIInChI=1S/C13H13ClN4O5S2/c14-9-6-10(18-13(19)17-8-4-2-1-3-5-8)12(25(16,22)23)7-11(9)24(15,20)21/h1-7H,(H2,15,20,21)(H2,16,22,23)(H2,17,18,19)
InChIKeyPOUXOERQTVYJPN-UHFFFAOYSA-N
XLogP1.28
TPSA161.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.86
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-(5-chloro-2,4-disulfamoylphenyl)-3-phenylurea 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-(5-chloro-2,4-disulfamoylphenyl)-3-phenylurea?
The IUPAC name of 1-(5-chloro-2,4-disulfamoylphenyl)-3-phenylurea (CID 10692638) is 1-(5-chloro-2,4-disulfamoylphenyl)-3-phenylurea.
What is the SMILES notation for 1-(5-chloro-2,4-disulfamoylphenyl)-3-phenylurea?
The canonical SMILES for 1-(5-chloro-2,4-disulfamoylphenyl)-3-phenylurea is NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)Nc2ccccc2)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-disulfamoylphenyl)-3-phenylurea?
The InChIKey is POUXOERQTVYJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O5S2/c14-9-6-10(18-13(19)17-8-4-2-1-3-5-8)12(25(16,22)23)7-11(9)24(15,20)21/h1-7H,(H2,15,20,21)(H2,16,22,23)(H2,17,18,19).
What are the key properties of 1-(5-chloro-2,4-disulfamoylphenyl)-3-phenylurea?
1-(5-chloro-2,4-disulfamoylphenyl)-3-phenylurea has a molecular weight of 404.86 g/mol, XLogP of 1.28, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-disulfamoylphenyl)-3-phenylurea is sourced from PubChem (CID 10692638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).