3,4-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide

C14H19F2NO3S — CID 71686947

IUPAC3,4-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
SMILESCN(CC1(C)CCOCC1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO3S/c1-14(5-7-20-8-6-14)10-17(2)21(18,19)11-3-4-12(15)13(16)9-11/h3-4,9H,5-8,10H2,1-2H3
InChIKeyQOKLIUUARPFOFW-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.40
Rot. Bonds4

About 3,4-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide

3,4-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide (PubChem CID 71686947) has the molecular formula C14H19F2NO3S and a molecular weight of 319.37 g/mol. Its IUPAC name is 3,4-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
PubChem CID71686947
Molecular FormulaC14H19F2NO3S
Molecular Weight319.37 g/mol
Exact Mass319.11
IUPAC Name3,4-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
SMILESCN(CC1(C)CCOCC1)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H19F2NO3S/c1-14(5-7-20-8-6-14)10-17(2)21(18,19)11-3-4-12(15)13(16)9-11/h3-4,9H,5-8,10H2,1-2H3
InChIKeyQOKLIUUARPFOFW-UHFFFAOYSA-N
XLogP2.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Chloro-4-fluoro-N-methyl-N-[(oxan-4-YL)methyl]benzene-1-sulfonamide
CID 91905215
N-Methyl-N-[(oxan-4-YL)methyl]-4-(trifluoromethyl)benzene-1-sulfonamide
CID 91905233
N-Methyl-N-[(oxan-4-YL)methyl]-3-(trifluoromethyl)benzene-1-sulfonamide
CID 91905256
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
2-Fluoro-N-methyl-N-[(oxolan-3-YL)methyl]benzene-1-sulfonamide
CID 102554906
3-Fluoro-N-[(oxan-4-YL)methyl]benzene-1-sulfonamide
CID 110875683
2-fluoro-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 55210333
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

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide (CID 71686947) is 3,4-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide is CN(CC1(C)CCOCC1)S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The InChIKey is QOKLIUUARPFOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3S/c1-14(5-7-20-8-6-14)10-17(2)21(18,19)11-3-4-12(15)13(16)9-11/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 3,4-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
3,4-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide has a molecular weight of 319.37 g/mol, XLogP of 2.40, 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-[(4-methyloxan-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71686947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).