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

C13H17F2NO3S — CID 71686922

IUPAC2,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C13H17F2NO3S/c1-13(4-6-19-7-5-13)9-16-20(17,18)12-3-2-10(14)8-11(12)15/h2-3,8,16H,4-7,9H2,1H3
InChIKeyVBDCIVUONXFJLM-UHFFFAOYSA-N
MW305.35 g/mol
LogP2.06
Rot. Bonds4

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

2,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide (PubChem CID 71686922) has the molecular formula C13H17F2NO3S and a molecular weight of 305.35 g/mol. Its IUPAC name is 2,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
PubChem CID71686922
Molecular FormulaC13H17F2NO3S
Molecular Weight305.35 g/mol
Exact Mass305.09
IUPAC Name2,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C13H17F2NO3S/c1-13(4-6-19-7-5-13)9-16-20(17,18)12-3-2-10(14)8-11(12)15/h2-3,8,16H,4-7,9H2,1H3
InChIKeyVBDCIVUONXFJLM-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

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide (CID 71686922) is 2,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide is CC1(CNS(=O)(=O)c2ccc(F)cc2F)CCOCC1.
What is the InChIKey of 2,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
The InChIKey is VBDCIVUONXFJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3S/c1-13(4-6-19-7-5-13)9-16-20(17,18)12-3-2-10(14)8-11(12)15/h2-3,8,16H,4-7,9H2,1H3.
What are the key properties of 2,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide?
2,4-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 2,4-difluoro-N-[(4-methyloxan-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71686922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).