2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

C12H16FNO3S — CID 102554906

IUPAC2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCOC1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H16FNO3S/c1-14(8-10-6-7-17-9-10)18(15,16)12-5-3-2-4-11(12)13/h2-5,10H,6-9H2,1H3
InChIKeyABYGLDNJQAEJDM-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.48
Rot. Bonds4

About 2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (PubChem CID 102554906) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
PubChem CID102554906
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCOC1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H16FNO3S/c1-14(8-10-6-7-17-9-10)18(15,16)12-5-3-2-4-11(12)13/h2-5,10H,6-9H2,1H3
InChIKeyABYGLDNJQAEJDM-UHFFFAOYSA-N
XLogP1.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Difluoro-N-[(oxolan-3-YL)methyl]-N-propylbenzene-1-sulfonamide
CID 91905706
4-Fluoro-N-[(oxolan-3-YL)methyl]-N-propylbenzene-1-sulfonamide
CID 91915417
3-Fluoro-N-[(oxolan-3-YL)methyl]-N-propylbenzene-1-sulfonamide
CID 91915437
4-Fluoro-N-methyl-N-[(oxan-4-YL)methyl]benzene-1-sulfonamide
CID 63713192
2-Fluoro-N-methyl-N-[(oxan-4-YL)methyl]benzene-1-sulfonamide
CID 63713361
N-Methyl-N-[(oxan-4-YL)methyl]benzenesulfonamide
CID 64417440
3-Fluoro-N-methyl-N-[(4-methyloxan-4-YL)methyl]benzene-1-sulfonamide
CID 71686944
2,5-Difluoro-N-methyl-N-[(4-methyloxan-4-YL)methyl]benzene-1-sulfonamide
CID 71686946
3,4-Difluoro-N-methyl-N-[(4-methyloxan-4-YL)methyl]benzene-1-sulfonamide
CID 71686947
3-Fluoro-N,4-dimethyl-N-[(oxolan-3-YL)methyl]benzene-1-sulfonamide
CID 71977813
4-Fluoro-N,3-dimethyl-N-[(oxan-4-YL)methyl]benzene-1-sulfonamide
CID 91905221
2,4-Difluoro-N-methyl-N-[(oxan-4-YL)methyl]benzene-1-sulfonamide
CID 91905224

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (CID 102554906) is 2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is CN(CC1CCOC1)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is ABYGLDNJQAEJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-14(8-10-6-7-17-9-10)18(15,16)12-5-3-2-4-11(12)13/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 273.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 102554906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).