2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide

C11H14F2N2O2S — CID 104826055

IUPAC2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCC1CNCC1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H14F2N2O2S/c1-7-5-14-6-10(7)15-18(16,17)11-3-2-8(12)4-9(11)13/h2-4,7,10,14-15H,5-6H2,1H3
InChIKeyROUDKADGDZYTLL-UHFFFAOYSA-N
MW276.31 g/mol
LogP0.85
Rot. Bonds3

About 2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide

2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide (PubChem CID 104826055) has the molecular formula C11H14F2N2O2S and a molecular weight of 276.31 g/mol. Its IUPAC name is 2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
PubChem CID104826055
Molecular FormulaC11H14F2N2O2S
Molecular Weight276.31 g/mol
Exact Mass276.07
IUPAC Name2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
SMILESCC1CNCC1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H14F2N2O2S/c1-7-5-14-6-10(7)15-18(16,17)11-3-2-8(12)4-9(11)13/h2-4,7,10,14-15H,5-6H2,1H3
InChIKeyROUDKADGDZYTLL-UHFFFAOYSA-N
XLogP0.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trifluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826074
4-fluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826095
4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 124516981
2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725186
2,4-difluoro-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79684830
2,5-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
CID 43597247
2-bromo-4-fluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
CID 61142760
4-bromo-2-fluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
CID 104889684
4-bromo-2,5-difluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725020
4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
CID 116528571
2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818000
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725034

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide (CID 104826055) is 2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide is CC1CNCC1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide?
The InChIKey is ROUDKADGDZYTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2S/c1-7-5-14-6-10(7)15-18(16,17)11-3-2-8(12)4-9(11)13/h2-4,7,10,14-15H,5-6H2,1H3.
What are the key properties of 2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide?
2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide has a molecular weight of 276.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 104826055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).