2-chloro-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide

C7H6ClF3N2O2S — CID 162420965

IUPAC2-chloro-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cc(C(F)(F)F)cnc1Cl
InChIInChI=1S/C7H6ClF3N2O2S/c1-12-16(14,15)5-2-4(7(9,10)11)3-13-6(5)8/h2-3,12H,1H3
InChIKeyYZBIFPPQMFSKKT-UHFFFAOYSA-N
MW274.65 g/mol
LogP1.66
Rot. Bonds2

About 2-chloro-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide

2-chloro-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 162420965) has the molecular formula C7H6ClF3N2O2S and a molecular weight of 274.65 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID162420965
Molecular FormulaC7H6ClF3N2O2S
Molecular Weight274.65 g/mol
Exact Mass273.98
IUPAC Name2-chloro-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1cc(C(F)(F)F)cnc1Cl
InChIInChI=1S/C7H6ClF3N2O2S/c1-12-16(14,15)5-2-4(7(9,10)11)3-13-6(5)8/h2-3,12H,1H3
InChIKeyYZBIFPPQMFSKKT-UHFFFAOYSA-N
XLogP1.66
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.65
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 57361942
5-bromo-2-chloro-N-methylpyridine-3-sulfonamide
CID 61059658
2-fluoro-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 142108163
2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 118832269
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]methanesulfonamide
CID 3847361
2-iodo-5-(trifluoromethyl)pyridine-3-sulfonamide
CID 131297996
1-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3-(methylamino)propane-1,2-diol
CID 171858601
3-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-3,3-difluoropropanoic acid
CID 162738258
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,5-dimethylbenzenesulfonohydrazide
CID 8523482
methyl 3-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]-2,3-dihydroxypropanoate
CID 171864714
3-chloro-5-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)pyridine-2-sulfonamide
CID 167920250

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide (CID 162420965) is 2-chloro-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide is CNS(=O)(=O)c1cc(C(F)(F)F)cnc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is YZBIFPPQMFSKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O2S/c1-12-16(14,15)5-2-4(7(9,10)11)3-13-6(5)8/h2-3,12H,1H3.
What are the key properties of 2-chloro-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide?
2-chloro-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 274.65 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 162420965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).