2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)benzenesulfonamide

C13H11F3N2O2S — CID 146127486

IUPAC2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C13H11F3N2O2S/c1-9-4-5-10(13(14,15)16)7-12(9)21(19,20)18-11-3-2-6-17-8-11/h2-8,18H,1H3
InChIKeyOZCQPTYBJGVQJV-UHFFFAOYSA-N
MW316.30 g/mol
LogP3.21
Rot. Bonds3

About 2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)benzenesulfonamide

2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 146127486) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is 2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)benzenesulfonamide
PubChem CID146127486
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC Name2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cccnc1
InChIInChI=1S/C13H11F3N2O2S/c1-9-4-5-10(13(14,15)16)7-12(9)21(19,20)18-11-3-2-6-17-8-11/h2-8,18H,1H3
InChIKeyOZCQPTYBJGVQJV-UHFFFAOYSA-N
XLogP3.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2-methyl-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 37119295
2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472703
3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid
CID 43510389
3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 79889308
2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 15943881
4-bromo-5-methyl-2-propan-2-yl-N-pyridin-3-ylbenzenesulfonamide
CID 39845617
5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 30868177
N-(4-methyl-3-sulfamoylphenyl)pyridine-3-sulfonamide
CID 61131422
2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid
CID 63742304
4-methoxy-2,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7574415
2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033482
N-[4-[[2-methyl-5-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]phenyl]acetamide
CID 137483088

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)benzenesulfonamide (CID 146127486) is 2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)benzenesulfonamide is Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cccnc1.
What is the InChIKey of 2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is OZCQPTYBJGVQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c1-9-4-5-10(13(14,15)16)7-12(9)21(19,20)18-11-3-2-6-17-8-11/h2-8,18H,1H3.
What are the key properties of 2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)benzenesulfonamide?
2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 316.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pyridin-3-yl-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 146127486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).