1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea

C14H11ClF3N3O3S — CID 56836514

IUPAC1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H11ClF3N3O3S/c15-11-7-8(14(16,17)18)1-6-12(11)21-13(22)20-9-2-4-10(5-3-9)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)
InChIKeySELVWAYDIKAGAI-UHFFFAOYSA-N
MW393.77 g/mol
LogP3.65
Rot. Bonds3

About 1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea

1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea (PubChem CID 56836514) has the molecular formula C14H11ClF3N3O3S and a molecular weight of 393.77 g/mol. Its IUPAC name is 1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea
PubChem CID56836514
Molecular FormulaC14H11ClF3N3O3S
Molecular Weight393.77 g/mol
Exact Mass393.02
IUPAC Name1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C14H11ClF3N3O3S/c15-11-7-8(14(16,17)18)1-6-12(11)21-13(22)20-9-2-4-10(5-3-9)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)
InChIKeySELVWAYDIKAGAI-UHFFFAOYSA-N
XLogP3.65
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.77
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-({[4-(Trifluoromethyl)anilino]carbonyl}amino)benzenesulfonamide
CID 2813478
1-(3-Chloro-4-methylphenyl)-3-(4-sulfamoylphenyl)urea
CID 122179485
4-{[(4-Chloro-2-fluorophenyl)carbamoyl]amino}benzenesulfonamide
CID 17250082
1-(3-Chloro-4-fluorophenyl)-3-(4-sulfamoylphenyl)urea
CID 27870091
1-[2-Fluoro-5-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea
CID 56836445
1-[2-Fluoro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea
CID 56836446
1-(2,5-Dichlorophenyl)-3-(4-sulfamoylphenyl)urea
CID 56836512
1-[2-Chloro-4-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 168284245
3-Chloro-4-(3-pentafluorophenyl-ureido)-benzenesulfonamide
CID 11177505
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea
CID 127567366
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-(3-sulfamoylphenyl)urea
CID 155550618
1-(2-Chloro-5-methylsulfonylphenyl)-3-(4-methylphenyl)urea
CID 2116167

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea (CID 56836514) is 1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is SELVWAYDIKAGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3O3S/c15-11-7-8(14(16,17)18)1-6-12(11)21-13(22)20-9-2-4-10(5-3-9)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22).
What are the key properties of 1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea?
1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea has a molecular weight of 393.77 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 56836514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).