4-fluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide

C14H16FNO3S2 — CID 90598464

IUPAC4-fluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(F)cc1)c1ccc(C)s1
InChIInChI=1S/C14H16FNO3S2/c1-10-3-8-14(20-10)13(19-2)9-16-21(17,18)12-6-4-11(15)5-7-12/h3-8,13,16H,9H2,1-2H3
InChIKeyLCLOWCRQCHHZQD-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.86
Rot. Bonds6

About 4-fluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide

4-fluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide (PubChem CID 90598464) has the molecular formula C14H16FNO3S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-fluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
PubChem CID90598464
Molecular FormulaC14H16FNO3S2
Molecular Weight329.42 g/mol
Exact Mass329.06
IUPAC Name4-fluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccc(F)cc1)c1ccc(C)s1
InChIInChI=1S/C14H16FNO3S2/c1-10-3-8-14(20-10)13(19-2)9-16-21(17,18)12-6-4-11(15)5-7-12/h3-8,13,16H,9H2,1-2H3
InChIKeyLCLOWCRQCHHZQD-UHFFFAOYSA-N
XLogP2.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide (CID 90598464) is 4-fluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide is COC(CNS(=O)(=O)c1ccc(F)cc1)c1ccc(C)s1.
What is the InChIKey of 4-fluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The InChIKey is LCLOWCRQCHHZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S2/c1-10-3-8-14(20-10)13(19-2)9-16-21(17,18)12-6-4-11(15)5-7-12/h3-8,13,16H,9H2,1-2H3.
What are the key properties of 4-fluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
4-fluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide has a molecular weight of 329.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90598464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).