3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide

C15H13F3N2O3S — CID 36591659

IUPAC3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESCc1cccc(C(N)=O)c1NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O3S/c1-9-5-4-6-10(14(19)21)13(9)20-24(22,23)12-8-3-2-7-11(12)15(16,17)18/h2-8,20H,1H3,(H2,19,21)
InChIKeyAAFALUPJBQUDBL-UHFFFAOYSA-N
MW358.34 g/mol
LogP2.91
Rot. Bonds4

About 3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide

3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide (PubChem CID 36591659) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is 3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound Name3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
PubChem CID36591659
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC Name3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
SMILESCc1cccc(C(N)=O)c1NS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O3S/c1-9-5-4-6-10(14(19)21)13(9)20-24(22,23)12-8-3-2-7-11(12)15(16,17)18/h2-8,20H,1H3,(H2,19,21)
InChIKeyAAFALUPJBQUDBL-UHFFFAOYSA-N
XLogP2.91
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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

3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 62998199
2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzamide
CID 36591620
5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 51113768
(2,6-dimethylphenyl) 2-(trifluoromethyl)benzenesulfonate
CID 78786931
2-[2-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 69461429
2-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 12017862
2-[[2,6-di(propan-2-yl)phenyl]sulfamoyl]benzamide
CID 142667190
4-methoxy-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 47063072
ethyl 3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 5088845
2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 172801513
N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide
CID 43330093
3-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 5088843

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The IUPAC name of 3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide (CID 36591659) is 3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for 3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for 3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide is Cc1cccc(C(N)=O)c1NS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
The InChIKey is AAFALUPJBQUDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c1-9-5-4-6-10(14(19)21)13(9)20-24(22,23)12-8-3-2-7-11(12)15(16,17)18/h2-8,20H,1H3,(H2,19,21).
What are the key properties of 3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide?
3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide has a molecular weight of 358.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 36591659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).