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

C13H17F2NO3S — CID 71686926

IUPAC3,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2ccc(F)c(F)c2)CCOCC1
InChIInChI=1S/C13H17F2NO3S/c1-13(4-6-19-7-5-13)9-16-20(17,18)10-2-3-11(14)12(15)8-10/h2-3,8,16H,4-7,9H2,1H3
InChIKeyYDLYTSUVADUWAX-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.06
Rot. Bonds4

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

3,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide (PubChem CID 71686926) has the molecular formula C13H17F2NO3S and a molecular weight of 305.35 g/mol. Its IUPAC name is 3,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
PubChem CID71686926
Molecular FormulaC13H17F2NO3S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name3,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2ccc(F)c(F)c2)CCOCC1
InChIInChI=1S/C13H17F2NO3S/c1-13(4-6-19-7-5-13)9-16-20(17,18)10-2-3-11(14)12(15)8-10/h2-3,8,16H,4-7,9H2,1H3
InChIKeyYDLYTSUVADUWAX-UHFFFAOYSA-N
XLogP2.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide (CID 71686926) is 3,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide is CC1(CNS(=O)(=O)c2ccc(F)c(F)c2)CCOCC1.
What is the InChIKey of 3,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The InChIKey is YDLYTSUVADUWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3S/c1-13(4-6-19-7-5-13)9-16-20(17,18)10-2-3-11(14)12(15)8-10/h2-3,8,16H,4-7,9H2,1H3.
What are the key properties of 3,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
3,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide has a molecular weight of 305.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71686926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).