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

C14H11ClF3N3O3S — CID 127567366

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H11ClF3N3O3S/c15-12-6-3-9(7-11(12)14(16,17)18)21-13(22)20-8-1-4-10(5-2-8)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)
InChIKeyGWCUTPKXYUYHMI-UHFFFAOYSA-N
MW393.77 g/mol
LogP3.65
Rot. Bonds3

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

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea (PubChem CID 127567366) has the molecular formula C14H11ClF3N3O3S and a molecular weight of 393.77 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea
PubChem CID127567366
Molecular FormulaC14H11ClF3N3O3S
Molecular Weight393.77 g/mol
Exact Mass393.02
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C14H11ClF3N3O3S/c15-12-6-3-9(7-11(12)14(16,17)18)21-13(22)20-8-1-4-10(5-2-8)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22)
InChIKeyGWCUTPKXYUYHMI-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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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea (CID 127567366) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea is NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea?
The InChIKey is GWCUTPKXYUYHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3N3O3S/c15-12-6-3-9(7-11(12)14(16,17)18)21-13(22)20-8-1-4-10(5-2-8)25(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea?
1-[4-chloro-3-(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-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-sulfamoylphenyl)urea is sourced from PubChem (CID 127567366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).