2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride

C13H14ClF2NO3S — CID 65369072

IUPAC2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCC1CCCCN1C(=O)c1cc(F)cc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C13H14ClF2NO3S/c1-8-4-2-3-5-17(8)13(18)10-6-9(15)7-11(12(10)16)21(14,19)20/h6-8H,2-5H2,1H3
InChIKeyLZAWQMIAZQBBMW-UHFFFAOYSA-N
MW337.78 g/mol
LogP2.91
Rot. Bonds2

About 2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride

2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride (PubChem CID 65369072) has the molecular formula C13H14ClF2NO3S and a molecular weight of 337.78 g/mol. Its IUPAC name is 2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
PubChem CID65369072
Molecular FormulaC13H14ClF2NO3S
Molecular Weight337.78 g/mol
Exact Mass337.04
IUPAC Name2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
SMILESCC1CCCCN1C(=O)c1cc(F)cc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C13H14ClF2NO3S/c1-8-4-2-3-5-17(8)13(18)10-6-9(15)7-11(12(10)16)21(14,19)20/h6-8H,2-5H2,1H3
InChIKeyLZAWQMIAZQBBMW-UHFFFAOYSA-N
XLogP2.91
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65370004
3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65368363
(2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 593303
2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride
CID 112676691
(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
4-bromo-3-(2-methylazepane-1-carbonyl)benzenesulfonyl chloride
CID 65397267
2-bromo-4-fluoro-5-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 65373226
3-(cyclohexylcarbamoyl)-2,5-difluorobenzenesulfonyl chloride
CID 65366757
3-acetyl-2,5-difluorobenzenesulfonyl chloride
CID 43118897
2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65367201
5-chloro-2-methoxy-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65372499
5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65367301

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride (CID 65369072) is 2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride is CC1CCCCN1C(=O)c1cc(F)cc(S(=O)(=O)Cl)c1F.
What is the InChIKey of 2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
The InChIKey is LZAWQMIAZQBBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF2NO3S/c1-8-4-2-3-5-17(8)13(18)10-6-9(15)7-11(12(10)16)21(14,19)20/h6-8H,2-5H2,1H3.
What are the key properties of 2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride?
2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride has a molecular weight of 337.78 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 65369072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).