2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine

C19H14ClF2NO3S — CID 23114769

IUPAC2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine
SMILESCOc1cccnc1C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClF2NO3S/c1-26-17-3-2-10-23-18(17)19(15-11-13(21)6-9-16(15)22)27(24,25)14-7-4-12(20)5-8-14/h2-11,19H,1H3
InChIKeyDCUOKDUMHAKJTM-UHFFFAOYSA-N
MW409.84 g/mol
LogP4.59
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine

2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine (PubChem CID 23114769) has the molecular formula C19H14ClF2NO3S and a molecular weight of 409.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine
PubChem CID23114769
Molecular FormulaC19H14ClF2NO3S
Molecular Weight409.84 g/mol
Exact Mass409.04
IUPAC Name2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine
SMILESCOc1cccnc1C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClF2NO3S/c1-26-17-3-2-10-23-18(17)19(15-11-13(21)6-9-16(15)22)27(24,25)14-7-4-12(20)5-8-14/h2-11,19H,1H3
InChIKeyDCUOKDUMHAKJTM-UHFFFAOYSA-N
XLogP4.59
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.84
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-2-(4-fluoro-2-methoxystyryl)-5-(2-fluorophenylsulfonyl)pyridine
CID 44439384
2-[2-[(4S,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethylsulfonylmethyl]pyridine
CID 122238727
3-(3-Chloro-4-fluorophenyl)sulfonyl-7-fluoro-4-(4-methoxyphenyl)quinoline
CID 25167987
4-(4-Chlorophenyl)-7-fluoro-3-(4-methoxyphenyl)sulfonylquinoline
CID 25168523
4-(3-Chlorophenyl)-7-fluoro-3-(3-methoxyphenyl)sulfonylquinoline
CID 25168935
3-[(4-Chlorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine
CID 45271062
2-[(4-Fluorophenyl)sulfanyl-(4-methoxyphenyl)methyl]pyridine
CID 71594972
[4-[3-(Fluoromethoxy)-2-pyridinyl]phenyl]-imino-methyl-oxo-lambda6-sulfane
CID 168289625
2-[(E)-2-(2-chlorophenyl)ethenyl]sulfonyl-5-methoxypyridine
CID 172447412
2-[(E)-2-(2-chlorophenyl)ethenyl]sulfonyl-3-methoxypyridine
CID 172448382
3-(4-Chlorobenzenesulfonyl)-6-fluoro-4-methoxyquinoline
CID 22425183
2-[(4-Chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-prop-2-enoxypyridine
CID 11430498

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine (CID 23114769) is 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine is COc1cccnc1C(c1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine?
The InChIKey is DCUOKDUMHAKJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2NO3S/c1-26-17-3-2-10-23-18(17)19(15-11-13(21)6-9-16(15)22)27(24,25)14-7-4-12(20)5-8-14/h2-11,19H,1H3.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine?
2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine has a molecular weight of 409.84 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]-3-methoxypyridine is sourced from PubChem (CID 23114769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).