1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea

C14H18F3N3O3S — CID 24651183

IUPAC1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NC2CCC(C(F)(F)F)CC2)cc1
InChIInChI=1S/C14H18F3N3O3S/c15-14(16,17)9-1-3-10(4-2-9)19-13(21)20-11-5-7-12(8-6-11)24(18,22)23/h5-10H,1-4H2,(H2,18,22,23)(H2,19,20,21)
InChIKeyPBMLMDSWKQUXPK-UHFFFAOYSA-N
MW365.38 g/mol
LogP2.58
Rot. Bonds3

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

1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea (PubChem CID 24651183) has the molecular formula C14H18F3N3O3S and a molecular weight of 365.38 g/mol. Its IUPAC name is 1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
PubChem CID24651183
Molecular FormulaC14H18F3N3O3S
Molecular Weight365.38 g/mol
Exact Mass365.10
IUPAC Name1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESNS(=O)(=O)c1ccc(NC(=O)NC2CCC(C(F)(F)F)CC2)cc1
InChIInChI=1S/C14H18F3N3O3S/c15-14(16,17)9-1-3-10(4-2-9)19-13(21)20-11-5-7-12(8-6-11)24(18,22)23/h5-10H,1-4H2,(H2,18,22,23)(H2,19,20,21)
InChIKeyPBMLMDSWKQUXPK-UHFFFAOYSA-N
XLogP2.58
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24651175
1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 2813478
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-[4-(cyclopentylsulfamoyl)phenyl]-3-cyclopropylurea
CID 119045070
1-(2-methyl-1,3-dioxoisoindol-5-yl)-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24664740
4-[(4-tert-butylcyclohexyl)amino]benzenesulfonamide
CID 29302845
1-cyclobutyl-3-(4-methylsulfonylphenyl)urea
CID 115617892
1-cyclopentyl-3-[4-(cyclopentylsulfamoyl)phenyl]urea
CID 119045085
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
1-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(4-sulfamoylphenyl)urea
CID 16819889
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-cyclopropylurea
CID 115575186

Frequently Asked Questions

What is the IUPAC name of 1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea (CID 24651183) is 1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea is NS(=O)(=O)c1ccc(NC(=O)NC2CCC(C(F)(F)F)CC2)cc1.
What is the InChIKey of 1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is PBMLMDSWKQUXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3S/c15-14(16,17)9-1-3-10(4-2-9)19-13(21)20-11-5-7-12(8-6-11)24(18,22)23/h5-10H,1-4H2,(H2,18,22,23)(H2,19,20,21).
What are the key properties of 1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea?
1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 365.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 24651183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).