2-(3-chloro-2-methylpropyl)sulfonyl-3,5-difluoropyridine

C9H10ClF2NO2S — CID 112676085

IUPAC2-(3-chloro-2-methylpropyl)sulfonyl-3,5-difluoropyridine
SMILESCC(CCl)CS(=O)(=O)c1ncc(F)cc1F
InChIInChI=1S/C9H10ClF2NO2S/c1-6(3-10)5-16(14,15)9-8(12)2-7(11)4-13-9/h2,4,6H,3,5H2,1H3
InChIKeyKQTIMJAYDYOLEP-UHFFFAOYSA-N
MW269.70 g/mol
LogP2.01
Rot. Bonds4

About 2-(3-chloro-2-methylpropyl)sulfonyl-3,5-difluoropyridine

2-(3-chloro-2-methylpropyl)sulfonyl-3,5-difluoropyridine (PubChem CID 112676085) has the molecular formula C9H10ClF2NO2S and a molecular weight of 269.70 g/mol. Its IUPAC name is 2-(3-chloro-2-methylpropyl)sulfonyl-3,5-difluoropyridine.

Molecular Properties

Compound Name2-(3-chloro-2-methylpropyl)sulfonyl-3,5-difluoropyridine
PubChem CID112676085
Molecular FormulaC9H10ClF2NO2S
Molecular Weight269.70 g/mol
Exact Mass269.01
IUPAC Name2-(3-chloro-2-methylpropyl)sulfonyl-3,5-difluoropyridine
SMILESCC(CCl)CS(=O)(=O)c1ncc(F)cc1F
InChIInChI=1S/C9H10ClF2NO2S/c1-6(3-10)5-16(14,15)9-8(12)2-7(11)4-13-9/h2,4,6H,3,5H2,1H3
InChIKeyKQTIMJAYDYOLEP-UHFFFAOYSA-N
XLogP2.01
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(3-chloro-2-methylpropyl)sulfonyl-2-methylpyrazolo[1,5-a]pyrazine
CID 104732287
1-(3-chloro-2-methylpropyl)sulfonyl-2,3,4,5,6-pentafluorobenzene
CID 66103140
3-(3-chloro-2-methylpropyl)sulfonyl-1-propan-2-ylpyrazin-2-one
CID 66103356
2-(3-chloro-2-methylpropyl)sulfonyl-4,6-dimethylpyrimidine
CID 66105799
4-(3-chloro-2-methylpropyl)sulfonyl-5,6-dimethylthieno[2,3-d]pyrimidine
CID 66104694
3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-2-methylpropane-1-sulfonamide
CID 79586151
3-(3-chloro-2-methylpropyl)sulfonyl-1-propylpyrazin-2-one
CID 66106017
1-chloro-4-(3-chloro-2-methylpropyl)sulfonyl-2-fluoro-5-nitrobenzene
CID 66102910
3-[(5-fluoro-3-pyridinyl)oxy]-2-methylpropane-1-sulfonyl chloride
CID 165492974
3-chloro-N-(3-fluoro-4-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79585638
3-chloro-4-(3-chloro-2-methylpropyl)sulfonylpyridine
CID 79840721
2-(3-chloro-2-methylpropyl)sulfonyl-6-methylpyridine-3-carbonitrile
CID 66103349

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylpropyl)sulfonyl-3,5-difluoropyridine?
The IUPAC name of 2-(3-chloro-2-methylpropyl)sulfonyl-3,5-difluoropyridine (CID 112676085) is 2-(3-chloro-2-methylpropyl)sulfonyl-3,5-difluoropyridine.
What is the SMILES notation for 2-(3-chloro-2-methylpropyl)sulfonyl-3,5-difluoropyridine?
The canonical SMILES for 2-(3-chloro-2-methylpropyl)sulfonyl-3,5-difluoropyridine is CC(CCl)CS(=O)(=O)c1ncc(F)cc1F.
What is the InChIKey of 2-(3-chloro-2-methylpropyl)sulfonyl-3,5-difluoropyridine?
The InChIKey is KQTIMJAYDYOLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO2S/c1-6(3-10)5-16(14,15)9-8(12)2-7(11)4-13-9/h2,4,6H,3,5H2,1H3.
What are the key properties of 2-(3-chloro-2-methylpropyl)sulfonyl-3,5-difluoropyridine?
2-(3-chloro-2-methylpropyl)sulfonyl-3,5-difluoropyridine has a molecular weight of 269.70 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylpropyl)sulfonyl-3,5-difluoropyridine is sourced from PubChem (CID 112676085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).