1-(4-chloro-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea

C13H11ClFN3O3S — CID 17250082

IUPAC1-(4-chloro-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C13H11ClFN3O3S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
InChIKeyILLWLWJTNFHQRA-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.77
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea

1-(4-chloro-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea (PubChem CID 17250082) has the molecular formula C13H11ClFN3O3S and a molecular weight of 343.77 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea
PubChem CID17250082
Molecular FormulaC13H11ClFN3O3S
Molecular Weight343.77 g/mol
Exact Mass343.02
IUPAC Name1-(4-chloro-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1
InChIInChI=1S/C13H11ClFN3O3S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19)
InChIKeyILLWLWJTNFHQRA-UHFFFAOYSA-N
XLogP2.77
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Slc-0111
CID 310360
4-[(Anilinocarbonyl)amino]benzenesulfonamide
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AI-204/31750036
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Glyparamide
CID 246940
4-{[(Pentafluorophenyl)carbamoyl]amino}benzenesulfonamide
CID 11245996
1-(4-Aminophenyl)-3-(4-sulfamoylphenyl)urea
CID 43468983
1-(2,6-Difluorophenyl)-3-(4-sulfamoylphenyl)urea
CID 56836511
1-(2-Chloro-5-nitrophenyl)-3-(4-sulfamoylphenyl)urea
CID 56836513
1-[2-Chloro-4-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea
CID 56836514
1-(3-Chloro-4-methylphenyl)-3-(4-sulfamoylphenyl)urea
CID 122179485
1-(4-Chlorophenyl)-3-(4-fluorophenyl)urea
CID 294989
N-(4-((2-Chloroanilino)sulfonyl)phenyl)acetamide
CID 607660

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea (CID 17250082) is 1-(4-chloro-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea?
The InChIKey is ILLWLWJTNFHQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFN3O3S/c14-8-1-6-12(11(15)7-8)18-13(19)17-9-2-4-10(5-3-9)22(16,20)21/h1-7H,(H2,16,20,21)(H2,17,18,19).
What are the key properties of 1-(4-chloro-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea?
1-(4-chloro-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea has a molecular weight of 343.77 g/mol, XLogP of 2.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 17250082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).