3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide

C13H12F2N2O2S — CID 41084343

IUPAC3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)c1ccccn1
InChIInChI=1S/C13H12F2N2O2S/c1-9(13-4-2-3-5-16-13)17-20(18,19)12-7-10(14)6-11(15)8-12/h2-9,17H,1H3/t9-/m0/s1
InChIKeySQUFWRKGOBWPIQ-VIFPVBQESA-N
MW298.31 g/mol
LogP2.40
Rot. Bonds4

About 3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide

3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide (PubChem CID 41084343) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is 3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
PubChem CID41084343
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC Name3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)c1ccccn1
InChIInChI=1S/C13H12F2N2O2S/c1-9(13-4-2-3-5-16-13)17-20(18,19)12-7-10(14)6-11(15)8-12/h2-9,17H,1H3/t9-/m0/s1
InChIKeySQUFWRKGOBWPIQ-VIFPVBQESA-N
XLogP2.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 18086450
3-fluoro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46452389
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
CID 2459314
3-amino-5-chloro-4-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 43524314
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
4-[[(1R)-1-pyridin-2-ylethyl]sulfamoyl]benzamide
CID 92520286
2-(ethylamino)-N-(1-pyridin-2-ylethyl)pyridine-4-sulfonamide
CID 62146235
3-nitro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 110724474
N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 26943769
1-methyl-5-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)pyrrole-3-sulfonamide
CID 106022878
6-(aminomethyl)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 114613153

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide (CID 41084343) is 3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)c1ccccn1.
What is the InChIKey of 3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide?
The InChIKey is SQUFWRKGOBWPIQ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-9(13-4-2-3-5-16-13)17-20(18,19)12-7-10(14)6-11(15)8-12/h2-9,17H,1H3/t9-/m0/s1.
What are the key properties of 3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide?
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide has a molecular weight of 298.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide is sourced from PubChem (CID 41084343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).