3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide

C13H17F2NO3S — CID 91905238

IUPAC3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCOCC1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO3S/c1-16(9-10-4-6-19-7-5-10)20(17,18)11-2-3-12(14)13(15)8-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyCSYBDSDWQMDBOD-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.01
Rot. Bonds4

About 3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide

3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide (PubChem CID 91905238) has the molecular formula C13H17F2NO3S and a molecular weight of 305.35 g/mol. Its IUPAC name is 3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
PubChem CID91905238
Molecular FormulaC13H17F2NO3S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
SMILESCN(CC1CCOCC1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO3S/c1-16(9-10-4-6-19-7-5-10)20(17,18)11-2-3-12(14)13(15)8-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyCSYBDSDWQMDBOD-UHFFFAOYSA-N
XLogP2.01
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N,4-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 71977813
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697406
2-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63713361
4-methoxy-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110752470
4-(bromomethyl)-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 65481628
3,4-difluoro-N-(oxolan-3-ylmethyl)-N-propylbenzenesulfonamide
CID 91905715
4-bromo-3-fluoro-N-methyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 107650163
2,5-difluoro-N-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 102554956
2-bromo-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63707428
3-[methyl(oxan-4-ylmethyl)sulfamoyl]benzenecarbothioamide
CID 63706866
5-amino-2-chloro-4-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63727471
N-methyl-N-(oxolan-3-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 91905749

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide (CID 91905238) is 3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide is CN(CC1CCOCC1)S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
The InChIKey is CSYBDSDWQMDBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3S/c1-16(9-10-4-6-19-7-5-10)20(17,18)11-2-3-12(14)13(15)8-11/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide?
3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide has a molecular weight of 305.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 91905238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).