2,5-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

C12H15F2NO3S — CID 102554956

IUPAC2,5-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCOC1)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H15F2NO3S/c1-15(7-9-4-5-18-8-9)19(16,17)12-6-10(13)2-3-11(12)14/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyJGWZWYGJALZJLI-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.62
Rot. Bonds4

About 2,5-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

2,5-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (PubChem CID 102554956) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is 2,5-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
PubChem CID102554956
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC Name2,5-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCOC1)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H15F2NO3S/c1-15(7-9-4-5-18-8-9)19(16,17)12-6-10(13)2-3-11(12)14/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyJGWZWYGJALZJLI-UHFFFAOYSA-N
XLogP1.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N,2-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 110875822
2-bromo-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63707428
3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 71977813
2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63713361
2-ethyl-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 91915494
2-bromo-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 91915497
2-bromo-N,5-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]benzenesulfonamide
CID 97330561
5-chloro-N-methyl-N-(oxolan-3-ylmethyl)-1-benzothiophene-3-sulfonamide
CID 71975871
3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 91905238
5-fluoro-2-methoxy-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91915442
N-(2-cyanoethyl)-2-fluoro-5-methyl-N-[[(3S)-oxolan-3-yl]methyl]benzenesulfonamide
CID 95598099
N-methyl-N-(oxolan-3-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 91905749

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (CID 102554956) is 2,5-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is CN(CC1CCOC1)S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is JGWZWYGJALZJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c1-15(7-9-4-5-18-8-9)19(16,17)12-6-10(13)2-3-11(12)14/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 2,5-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
2,5-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 291.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 102554956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).