1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea

C13H12ClN3O3S — CID 61131953

IUPAC1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccccc1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H12ClN3O3S/c14-9-5-1-2-6-10(9)16-13(18)17-11-7-3-4-8-12(11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
InChIKeyXFNJANZHJDSHBE-UHFFFAOYSA-N
MW325.78 g/mol
LogP2.63
Rot. Bonds3

About 1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea

1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea (PubChem CID 61131953) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea
PubChem CID61131953
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.78 g/mol
Exact Mass325.03
IUPAC Name1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccccc1NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H12ClN3O3S/c14-9-5-1-2-6-10(9)16-13(18)17-11-7-3-4-8-12(11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
InChIKeyXFNJANZHJDSHBE-UHFFFAOYSA-N
XLogP2.63
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-3-(2-chlorophenyl)sulfonylurea
CID 744684
1-(2-chloroethyl)-3-(2-sulfamoylphenyl)urea
CID 14868379
1-propan-2-yl-3-(2-sulfamoylphenyl)urea
CID 61131721
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
1-(4-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43544026
1,1-diphenyl-3-(2-sulfamoylphenyl)urea
CID 3622343
3-amino-N-(2-sulfamoylphenyl)propanamide
CID 10705385
1-(5-amino-2-chlorophenyl)-3-(2-chlorophenyl)urea
CID 43551327
3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide
CID 61129572
2-methyl-3-oxo-3-(2-sulfamoylanilino)propanoic acid
CID 114898170
1-(1,3-benzothiazol-2-yl)-3-(2-sulfamoylphenyl)urea
CID 165368097
1-[(4-methylphenyl)methyl]-3-(2-sulfamoylphenyl)urea
CID 20694113

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea?
The IUPAC name of 1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea (CID 61131953) is 1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea is NS(=O)(=O)c1ccccc1NC(=O)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea?
The InChIKey is XFNJANZHJDSHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c14-9-5-1-2-6-10(9)16-13(18)17-11-7-3-4-8-12(11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18).
What are the key properties of 1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea?
1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea has a molecular weight of 325.78 g/mol, XLogP of 2.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea is sourced from PubChem (CID 61131953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).