2,5-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide

C14H19F2NO3S — CID 71686946

IUPAC2,5-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
SMILESCN(CC1(C)CCOCC1)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO3S/c1-14(5-7-20-8-6-14)10-17(2)21(18,19)13-9-11(15)3-4-12(13)16/h3-4,9H,5-8,10H2,1-2H3
InChIKeyHZIBKLPGPZRBDJ-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.40
Rot. Bonds4

About 2,5-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide

2,5-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide (PubChem CID 71686946) has the molecular formula C14H19F2NO3S and a molecular weight of 319.37 g/mol. Its IUPAC name is 2,5-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
PubChem CID71686946
Molecular FormulaC14H19F2NO3S
Molecular Weight319.37 g/mol
Exact Mass319.11
IUPAC Name2,5-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
SMILESCN(CC1(C)CCOCC1)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C14H19F2NO3S/c1-14(5-7-20-8-6-14)10-17(2)21(18,19)13-9-11(15)3-4-12(13)16/h3-4,9H,5-8,10H2,1-2H3
InChIKeyHZIBKLPGPZRBDJ-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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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide (CID 71686946) is 2,5-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide is CN(CC1(C)CCOCC1)S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The InChIKey is HZIBKLPGPZRBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3S/c1-14(5-7-20-8-6-14)10-17(2)21(18,19)13-9-11(15)3-4-12(13)16/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 2,5-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
2,5-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 2,5-difluoro-N-methyl-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71686946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).