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

C14H14ClN3O3S — CID 122179485

IUPAC1-(3-chloro-4-methylphenyl)-3-(4-sulfamoylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C14H14ClN3O3S/c1-9-2-3-11(8-13(9)15)18-14(19)17-10-4-6-12(7-5-10)22(16,20)21/h2-8H,1H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyIXQXVWVBCGRFAX-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.94
Rot. Bonds3

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

1-(3-chloro-4-methylphenyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 122179485) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(4-sulfamoylphenyl)urea
PubChem CID122179485
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(4-sulfamoylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C14H14ClN3O3S/c1-9-2-3-11(8-13(9)15)18-14(19)17-10-4-6-12(7-5-10)22(16,20)21/h2-8H,1H3,(H2,16,20,21)(H2,17,18,19)
InChIKeyIXQXVWVBCGRFAX-UHFFFAOYSA-N
XLogP2.94
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-({[4-(Trifluoromethyl)anilino]carbonyl}amino)benzenesulfonamide
CID 2813478
AI-204/31750036
CID 730672
N-(3-Chlorophenyl)-N'-(4-methylphenyl)urea
CID 3819896
1-[2-Chloro-4-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea
CID 56836514
4-[(3-Toluidinocarbonyl)amino]benzenesulfonamide
CID 310649
N-(3-Chloro-4-methylphenyl)-N'-(4-chlorophenyl)urea
CID 727788
1-(3-Chloro-4-methylphenyl)-3-phenylurea
CID 295134
1-(4-Chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
1-(3-Chlorophenyl)-3-(4-sulfamoylphenyl)urea
CID 307505
N-(3-chloro-4-methylphenyl)-N'-(4-fluorophenyl)urea
CID 727807
(E)-3-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 2672927
1-[Amino-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 9818654

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(4-sulfamoylphenyl)urea (CID 122179485) is 1-(3-chloro-4-methylphenyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(4-sulfamoylphenyl)urea is Cc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is IXQXVWVBCGRFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c1-9-2-3-11(8-13(9)15)18-14(19)17-10-4-6-12(7-5-10)22(16,20)21/h2-8H,1H3,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(4-sulfamoylphenyl)urea?
1-(3-chloro-4-methylphenyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 339.80 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 122179485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).