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

C12H12ClF2NO3S — CID 65370004

IUPAC2,5-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
SMILESCC1CCCN1C(=O)c1cc(F)cc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C12H12ClF2NO3S/c1-7-3-2-4-16(7)12(17)9-5-8(14)6-10(11(9)15)20(13,18)19/h5-7H,2-4H2,1H3
InChIKeyVHVZGNZVWRFGLU-UHFFFAOYSA-N
MW323.75 g/mol
LogP2.52
Rot. Bonds2

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

2,5-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride (PubChem CID 65370004) has the molecular formula C12H12ClF2NO3S and a molecular weight of 323.75 g/mol. Its IUPAC name is 2,5-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2,5-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
PubChem CID65370004
Molecular FormulaC12H12ClF2NO3S
Molecular Weight323.75 g/mol
Exact Mass323.02
IUPAC Name2,5-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
SMILESCC1CCCN1C(=O)c1cc(F)cc(S(=O)(=O)Cl)c1F
InChIInChI=1S/C12H12ClF2NO3S/c1-7-3-2-4-16(7)12(17)9-5-8(14)6-10(11(9)15)20(13,18)19/h5-7H,2-4H2,1H3
InChIKeyVHVZGNZVWRFGLU-UHFFFAOYSA-N
XLogP2.52
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-difluoro-3-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65369072
5-chloro-2-methoxy-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65372499
2-chloro-5,6-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 65388382
3-fluoro-2-methyl-5-(2-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65368363
(5-chloro-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 61146717
3-acetyl-2,5-difluorobenzenesulfonyl chloride
CID 43118897
2-bromo-5-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65367201
(2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 593303
5-chloro-2-fluoro-3-(4-methylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 65367301
(2-methylpyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110728179
2-methyl-5-(2-methylpiperidine-1-carbonyl)thiophene-3-sulfonyl chloride
CID 112676691
3-(cyclohexylcarbamoyl)-2,5-difluorobenzenesulfonyl chloride
CID 65366757

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride?
The IUPAC name of 2,5-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride (CID 65370004) is 2,5-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride.
What is the SMILES notation for 2,5-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride?
The canonical SMILES for 2,5-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride is CC1CCCN1C(=O)c1cc(F)cc(S(=O)(=O)Cl)c1F.
What is the InChIKey of 2,5-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride?
The InChIKey is VHVZGNZVWRFGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2NO3S/c1-7-3-2-4-16(7)12(17)9-5-8(14)6-10(11(9)15)20(13,18)19/h5-7H,2-4H2,1H3.
What are the key properties of 2,5-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride?
2,5-difluoro-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride has a molecular weight of 323.75 g/mol, XLogP of 2.52, 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-methylpyrrolidine-1-carbonyl)benzenesulfonyl chloride is sourced from PubChem (CID 65370004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).