2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzenesulfonamide

C12H17FN2O2S — CID 114761653

IUPAC2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2ccccc2F)CCCN1
InChIInChI=1S/C12H17FN2O2S/c1-12(7-4-8-14-12)9-15-18(16,17)11-6-3-2-5-10(11)13/h2-3,5-6,14-15H,4,7-9H2,1H3
InChIKeyHWIHXVHZPISFLB-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.25
Rot. Bonds4

About 2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzenesulfonamide

2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzenesulfonamide (PubChem CID 114761653) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
PubChem CID114761653
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2ccccc2F)CCCN1
InChIInChI=1S/C12H17FN2O2S/c1-12(7-4-8-14-12)9-15-18(16,17)11-6-3-2-5-10(11)13/h2-3,5-6,14-15H,4,7-9H2,1H3
InChIKeyHWIHXVHZPISFLB-UHFFFAOYSA-N
XLogP1.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzenesulfonamide (CID 114761653) is 2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzenesulfonamide is CC1(CNS(=O)(=O)c2ccccc2F)CCCN1.
What is the InChIKey of 2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzenesulfonamide?
The InChIKey is HWIHXVHZPISFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-12(7-4-8-14-12)9-15-18(16,17)11-6-3-2-5-10(11)13/h2-3,5-6,14-15H,4,7-9H2,1H3.
What are the key properties of 2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzenesulfonamide?
2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzenesulfonamide has a molecular weight of 272.34 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-methylpyrrolidin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 114761653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).