5-chloro-2-[1-(2,5-difluorophenyl)cycloheptyl]sulfonylpyridine

C18H18ClF2NO2S — CID 23028837

IUPAC5-chloro-2-[1-(2,5-difluorophenyl)cycloheptyl]sulfonylpyridine
SMILESO=S(=O)(c1ccc(Cl)cn1)C1(c2cc(F)ccc2F)CCCCCC1
InChIInChI=1S/C18H18ClF2NO2S/c19-13-5-8-17(22-12-13)25(23,24)18(9-3-1-2-4-10-18)15-11-14(20)6-7-16(15)21/h5-8,11-12H,1-4,9-10H2
InChIKeyIFMHYQUFOMUKQI-UHFFFAOYSA-N
MW385.86 g/mol
LogP5.04
Rot. Bonds3

About 5-chloro-2-[1-(2,5-difluorophenyl)cycloheptyl]sulfonylpyridine

5-chloro-2-[1-(2,5-difluorophenyl)cycloheptyl]sulfonylpyridine (PubChem CID 23028837) has the molecular formula C18H18ClF2NO2S and a molecular weight of 385.86 g/mol. Its IUPAC name is 5-chloro-2-[1-(2,5-difluorophenyl)cycloheptyl]sulfonylpyridine.

Molecular Properties

Compound Name5-chloro-2-[1-(2,5-difluorophenyl)cycloheptyl]sulfonylpyridine
PubChem CID23028837
Molecular FormulaC18H18ClF2NO2S
Molecular Weight385.86 g/mol
Exact Mass385.07
IUPAC Name5-chloro-2-[1-(2,5-difluorophenyl)cycloheptyl]sulfonylpyridine
SMILESO=S(=O)(c1ccc(Cl)cn1)C1(c2cc(F)ccc2F)CCCCCC1
InChIInChI=1S/C18H18ClF2NO2S/c19-13-5-8-17(22-12-13)25(23,24)18(9-3-1-2-4-10-18)15-11-14(20)6-7-16(15)21/h5-8,11-12H,1-4,9-10H2
InChIKeyIFMHYQUFOMUKQI-UHFFFAOYSA-N
XLogP5.04
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.86
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]pyridine-2-sulfonamide
CID 25263477
3-Chloro-2-[(phenylsulfonyl)methyl]-5-(trifluoromethyl)pyridine
CID 1475890
3-(2,4-Difluorophenyl)-2-(2-pyridylsulfonyl)acrylonitrile
CID 5703047
2-((4-Chlorophenyl)sulfonyl)pyridine
CID 699459
3-Chloro-2-(phenylsulfonyl)-5-(trifluoromethyl)pyridine
CID 1479266
(E)-5-(4-fluorostyryl)-2-(4-fluorophenylsulfonyl)pyridine
CID 21099448
5-(4-Fluorophenethyl)-2-(4-fluorophenylsulfonyl)pyridine
CID 21099514
2-[[4-(4-Chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexyl]methylsulfonyl]pyridine
CID 21963963
3-(4-Chlorophenyl)-2-(3,5-difluorophenyl)sulfonylthieno[2,3-b]pyridine
CID 59159456
2-(4-Chlorophenyl)sulfonyl-3-(2,4-difluorophenyl)thieno[2,3-b]pyridine
CID 59159499
Pyridine, 2-[2-(4-chlorophenylsulfonyl)ethylthio]-5-trifluoromethyl-
CID 609897
3-(3-Chloro-4-fluorophenyl)-2-(2-pyridylsulfonyl)acrylonitrile
CID 5703066

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-(2,5-difluorophenyl)cycloheptyl]sulfonylpyridine?
The IUPAC name of 5-chloro-2-[1-(2,5-difluorophenyl)cycloheptyl]sulfonylpyridine (CID 23028837) is 5-chloro-2-[1-(2,5-difluorophenyl)cycloheptyl]sulfonylpyridine.
What is the SMILES notation for 5-chloro-2-[1-(2,5-difluorophenyl)cycloheptyl]sulfonylpyridine?
The canonical SMILES for 5-chloro-2-[1-(2,5-difluorophenyl)cycloheptyl]sulfonylpyridine is O=S(=O)(c1ccc(Cl)cn1)C1(c2cc(F)ccc2F)CCCCCC1.
What is the InChIKey of 5-chloro-2-[1-(2,5-difluorophenyl)cycloheptyl]sulfonylpyridine?
The InChIKey is IFMHYQUFOMUKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF2NO2S/c19-13-5-8-17(22-12-13)25(23,24)18(9-3-1-2-4-10-18)15-11-14(20)6-7-16(15)21/h5-8,11-12H,1-4,9-10H2.
What are the key properties of 5-chloro-2-[1-(2,5-difluorophenyl)cycloheptyl]sulfonylpyridine?
5-chloro-2-[1-(2,5-difluorophenyl)cycloheptyl]sulfonylpyridine has a molecular weight of 385.86 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-(2,5-difluorophenyl)cycloheptyl]sulfonylpyridine is sourced from PubChem (CID 23028837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).