2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide

C11H14FNO3S — CID 2123351

IUPAC2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H]1CCCO1)c1ccccc1F
InChIInChI=1S/C11H14FNO3S/c12-10-5-1-2-6-11(10)17(14,15)13-8-9-4-3-7-16-9/h1-2,5-6,9,13H,3-4,7-8H2/t9-/m1/s1
InChIKeyACSAOMBIEDXXQA-SECBINFHSA-N
MW259.30 g/mol
LogP1.28
Rot. Bonds4

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

2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide (PubChem CID 2123351) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
PubChem CID2123351
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@H]1CCCO1)c1ccccc1F
InChIInChI=1S/C11H14FNO3S/c12-10-5-1-2-6-11(10)17(14,15)13-8-9-4-3-7-16-9/h1-2,5-6,9,13H,3-4,7-8H2/t9-/m1/s1
InChIKeyACSAOMBIEDXXQA-SECBINFHSA-N
XLogP1.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 110759337
N-[[(2R)-oxolan-2-yl]methyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 94183015
2-amino-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 55014409
2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 43456566
2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 54888363
4-N-[(2-fluorophenyl)methyl]-1-N,4-N-bis(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189937
N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide
CID 704975
2-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094176
2-[(2-fluorophenyl)sulfonylmethyl]oxane
CID 64716675
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
N-(oxolan-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 2906606
2,4,5-trichloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2897340

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide (CID 2123351) is 2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide is O=S(=O)(NC[C@H]1CCCO1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
The InChIKey is ACSAOMBIEDXXQA-SECBINFHSA-N. The full InChI is InChI=1S/C11H14FNO3S/c12-10-5-1-2-6-11(10)17(14,15)13-8-9-4-3-7-16-9/h1-2,5-6,9,13H,3-4,7-8H2/t9-/m1/s1.
What are the key properties of 2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide?
2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide has a molecular weight of 259.30 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 2123351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).