2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine

C19H14ClF2NO2S — CID 23114561

IUPAC2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine
SMILESCc1ccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C19H14ClF2NO2S/c1-12-2-9-18(23-11-12)19(16-10-14(21)5-8-17(16)22)26(24,25)15-6-3-13(20)4-7-15/h2-11,19H,1H3
InChIKeyZUDAWYCFHHSWKN-UHFFFAOYSA-N
MW393.84 g/mol
LogP4.88
Rot. Bonds4

About 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine

2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine (PubChem CID 23114561) has the molecular formula C19H14ClF2NO2S and a molecular weight of 393.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine
PubChem CID23114561
Molecular FormulaC19H14ClF2NO2S
Molecular Weight393.84 g/mol
Exact Mass393.04
IUPAC Name2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine
SMILESCc1ccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)nc1
InChIInChI=1S/C19H14ClF2NO2S/c1-12-2-9-18(23-11-12)19(16-10-14(21)5-8-17(16)22)26(24,25)15-6-3-13(20)4-7-15/h2-11,19H,1H3
InChIKeyZUDAWYCFHHSWKN-UHFFFAOYSA-N
XLogP4.88
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.84
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-[(dimethylsulfamoylamino)methyl]pyridine
CID 59750939
6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-methylsulfanylpyridine-3-carboxamide
CID 174500756
2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-(piperidin-1-ylmethyl)pyridine
CID 23114800
N-(2-aminoethyl)-6-[(2,5-difluorophenyl)-(4-methylphenyl)sulfonylmethyl]pyridine-3-carbothioamide
CID 142980731
N-[2-[[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]pyridine-3-carbonyl]amino]ethyl]carbamate
CID 23114844
N-[2-[[6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]pyridine-3-carbothioyl]amino]ethyl]carbamate
CID 23114568
[6-[[(4-chlorophenyl)-methylidene-oxo-λ6-sulfanyl]-(2,5-difluorophenyl)methyl]-3-pyridinyl]methanamine
CID 142260407
2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-6-[(E)-2-pyridin-2-ylethenyl]pyridine
CID 23114544
ethyl 2-[[5-chloro-3-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate
CID 140509497
ethyl 2-[[5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-2-pyridinyl]sulfamoyl]acetate
CID 58734245
5-chloro-4-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-N-[2-(dimethylamino)ethylsulfanyl]pyridin-2-amine
CID 142980689
2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine
CID 16681305

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine (CID 23114561) is 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine is Cc1ccc(C(c2cc(F)ccc2F)S(=O)(=O)c2ccc(Cl)cc2)nc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine?
The InChIKey is ZUDAWYCFHHSWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2NO2S/c1-12-2-9-18(23-11-12)19(16-10-14(21)5-8-17(16)22)26(24,25)15-6-3-13(20)4-7-15/h2-11,19H,1H3.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine?
2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine has a molecular weight of 393.84 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-5-methylpyridine is sourced from PubChem (CID 23114561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).