3-fluoro-N-[2-(methoxymethyl)phenyl]-4-methylbenzenesulfonamide

C15H16FNO3S — CID 60534633

IUPAC3-fluoro-N-[2-(methoxymethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCOCc1ccccc1NS(=O)(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C15H16FNO3S/c1-11-7-8-13(9-14(11)16)21(18,19)17-15-6-4-3-5-12(15)10-20-2/h3-9,17H,10H2,1-2H3
InChIKeyLNCWVRRLGDMNAR-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.08
Rot. Bonds5

About 3-fluoro-N-[2-(methoxymethyl)phenyl]-4-methylbenzenesulfonamide

3-fluoro-N-[2-(methoxymethyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 60534633) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is 3-fluoro-N-[2-(methoxymethyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(methoxymethyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID60534633
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC Name3-fluoro-N-[2-(methoxymethyl)phenyl]-4-methylbenzenesulfonamide
SMILESCOCc1ccccc1NS(=O)(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C15H16FNO3S/c1-11-7-8-13(9-14(11)16)21(18,19)17-15-6-4-3-5-12(15)10-20-2/h3-9,17H,10H2,1-2H3
InChIKeyLNCWVRRLGDMNAR-UHFFFAOYSA-N
XLogP3.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(methoxymethyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-(methoxymethyl)phenyl]-4-methylbenzenesulfonamide (CID 60534633) is 3-fluoro-N-[2-(methoxymethyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-(methoxymethyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-(methoxymethyl)phenyl]-4-methylbenzenesulfonamide is COCc1ccccc1NS(=O)(=O)c1ccc(C)c(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(methoxymethyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is LNCWVRRLGDMNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-11-7-8-13(9-14(11)16)21(18,19)17-15-6-4-3-5-12(15)10-20-2/h3-9,17H,10H2,1-2H3.
What are the key properties of 3-fluoro-N-[2-(methoxymethyl)phenyl]-4-methylbenzenesulfonamide?
3-fluoro-N-[2-(methoxymethyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(methoxymethyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 60534633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).