3-methyl-5-sulfamoyl-N-[4-(trifluoromethyl)phenyl]benzamide

C15H13F3N2O3S — CID 110678136

IUPAC3-methyl-5-sulfamoyl-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc(S(N)(=O)=O)c1
InChIInChI=1S/C15H13F3N2O3S/c1-9-6-10(8-13(7-9)24(19,22)23)14(21)20-12-4-2-11(3-5-12)15(16,17)18/h2-8H,1H3,(H,20,21)(H2,19,22,23)
InChIKeyKIDPKCPOAGGHME-UHFFFAOYSA-N
MW358.34 g/mol
LogP2.91
Rot. Bonds3

About 3-methyl-5-sulfamoyl-N-[4-(trifluoromethyl)phenyl]benzamide

3-methyl-5-sulfamoyl-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 110678136) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is 3-methyl-5-sulfamoyl-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-methyl-5-sulfamoyl-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID110678136
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC Name3-methyl-5-sulfamoyl-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc(S(N)(=O)=O)c1
InChIInChI=1S/C15H13F3N2O3S/c1-9-6-10(8-13(7-9)24(19,22)23)14(21)20-12-4-2-11(3-5-12)15(16,17)18/h2-8H,1H3,(H,20,21)(H2,19,22,23)
InChIKeyKIDPKCPOAGGHME-UHFFFAOYSA-N
XLogP2.91
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide
CID 2322744
1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 2813478
N-(3-methoxyphenyl)-3-methyl-5-sulfamoylbenzamide
CID 110678124
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
2-methyl-6-oxo-N-[4-(trifluoromethyl)phenyl]-1H-pyridine-4-carboxamide
CID 110698736
3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26698538
N-(4-carbamoylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 1013270
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
4-(hydroxymethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 4880235
3,5-dinitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9097997
2,5-dimethyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 7777818

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-sulfamoyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-methyl-5-sulfamoyl-N-[4-(trifluoromethyl)phenyl]benzamide (CID 110678136) is 3-methyl-5-sulfamoyl-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-methyl-5-sulfamoyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-methyl-5-sulfamoyl-N-[4-(trifluoromethyl)phenyl]benzamide is Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-methyl-5-sulfamoyl-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is KIDPKCPOAGGHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c1-9-6-10(8-13(7-9)24(19,22)23)14(21)20-12-4-2-11(3-5-12)15(16,17)18/h2-8H,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 3-methyl-5-sulfamoyl-N-[4-(trifluoromethyl)phenyl]benzamide?
3-methyl-5-sulfamoyl-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 358.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-sulfamoyl-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 110678136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).