3,4-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide

C11H14F2N2O3S — CID 43597244

IUPAC3,4-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2N2O3S/c1-18-11-6-14-5-10(11)15-19(16,17)7-2-3-8(12)9(13)4-7/h2-4,10-11,14-15H,5-6H2,1H3/t10?,11-/m0/s1
InChIKeyASENSESEJFDZLR-DTIOYNMSSA-N
MW292.31 g/mol
LogP0.23
Rot. Bonds4

About 3,4-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide

3,4-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide (PubChem CID 43597244) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is 3,4-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
PubChem CID43597244
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC Name3,4-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
SMILESCO[C@H]1CNCC1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2N2O3S/c1-18-11-6-14-5-10(11)15-19(16,17)7-2-3-8(12)9(13)4-7/h2-4,10-11,14-15H,5-6H2,1H3/t10?,11-/m0/s1
InChIKeyASENSESEJFDZLR-DTIOYNMSSA-N
XLogP0.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide (CID 43597244) is 3,4-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide is CO[C@H]1CNCC1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is ASENSESEJFDZLR-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c1-18-11-6-14-5-10(11)15-19(16,17)7-2-3-8(12)9(13)4-7/h2-4,10-11,14-15H,5-6H2,1H3/t10?,11-/m0/s1.
What are the key properties of 3,4-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide?
3,4-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 292.31 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 43597244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).