N-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide

C7H6ClF3N2O2S — CID 134121414

IUPACN-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C7H6ClF3N2O2S/c1-16(14,15)13-5-3-2-4(6(8)12-5)7(9,10)11/h2-3H,1H3,(H,12,13)
InChIKeyRYZNFDVKEZODIQ-UHFFFAOYSA-N
MW274.65 g/mol
LogP2.13
Rot. Bonds2

About N-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide

N-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide (PubChem CID 134121414) has the molecular formula C7H6ClF3N2O2S and a molecular weight of 274.65 g/mol. Its IUPAC name is N-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide
PubChem CID134121414
Molecular FormulaC7H6ClF3N2O2S
Molecular Weight274.65 g/mol
Exact Mass273.98
IUPAC NameN-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C7H6ClF3N2O2S/c1-16(14,15)13-5-3-2-4(6(8)12-5)7(9,10)11/h2-3H,1H3,(H,12,13)
InChIKeyRYZNFDVKEZODIQ-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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

tert-butyl N-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]carbamate;ethane
CID 177168278
3-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 59300473
1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2H-pyrrol-5-one
CID 177168003
1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-(hydroxymethyl)-4-methylpyrrolidine-2,5-dione
CID 87263543
1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-ethyl-4-methylpyrrole-2,5-diol
CID 91127383
N-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]propane-1-sulfonamide
CID 154779778
diethyl 2-[[1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2,5-dihydroxy-4-methylpyrrol-3-yl]methylidene]propanedioate
CID 136644841
tert-butyl 6-chloro-5-(trifluoromethyl)pyridine-2-carboxylate
CID 119081533
1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methylamino]-3,4-dimethylpyrrole-2,5-dione
CID 87263557
2-[[2-ethyl-6-(methanesulfonamido)-3-pyridinyl]oxy]acetic acid
CID 122673128
N-[4-bromo-3-(trifluoromethyl)phenyl]methanesulfonamide
CID 3734435
3-[1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-4-methyl-2,5-dioxopyrrol-3-yl]-2-methylpropanoic acid
CID 87761434

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide (CID 134121414) is N-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(F)(F)F)c(Cl)n1.
What is the InChIKey of N-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide?
The InChIKey is RYZNFDVKEZODIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O2S/c1-16(14,15)13-5-3-2-4(6(8)12-5)7(9,10)11/h2-3H,1H3,(H,12,13).
What are the key properties of N-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide?
N-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide has a molecular weight of 274.65 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 134121414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).