1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-sulfamoylphenyl)urea

C15H12ClN5O3S2 — CID 155927010

IUPAC1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C15H12ClN5O3S2/c16-10-3-1-9(2-4-10)13-20-21-15(25-13)19-14(22)18-11-5-7-12(8-6-11)26(17,23)24/h1-8H,(H2,17,23,24)(H2,18,19,21,22)
InChIKeyHWRSQSDFIALNAE-UHFFFAOYSA-N
MW409.88 g/mol
LogP3.15
Rot. Bonds4

About 1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-sulfamoylphenyl)urea

1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-sulfamoylphenyl)urea (PubChem CID 155927010) has the molecular formula C15H12ClN5O3S2 and a molecular weight of 409.88 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-sulfamoylphenyl)urea
PubChem CID155927010
Molecular FormulaC15H12ClN5O3S2
Molecular Weight409.88 g/mol
Exact Mass409.01
IUPAC Name1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1
InChIInChI=1S/C15H12ClN5O3S2/c16-10-3-1-9(2-4-10)13-20-21-15(25-13)19-14(22)18-11-5-7-12(8-6-11)26(17,23)24/h1-8H,(H2,17,23,24)(H2,18,19,21,22)
InChIKeyHWRSQSDFIALNAE-UHFFFAOYSA-N
XLogP3.15
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.88
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-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-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-sulfamoylphenyl)urea (CID 155927010) is 1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is HWRSQSDFIALNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O3S2/c16-10-3-1-9(2-4-10)13-20-21-15(25-13)19-14(22)18-11-5-7-12(8-6-11)26(17,23)24/h1-8H,(H2,17,23,24)(H2,18,19,21,22).
What are the key properties of 1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-sulfamoylphenyl)urea?
1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-sulfamoylphenyl)urea has a molecular weight of 409.88 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 155927010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).