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

C14H16FNO3S2 — CID 97417510

IUPAC2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1ccccc1F)c1ccc(C)s1
InChIInChI=1S/C14H16FNO3S2/c1-10-7-8-13(20-10)12(19-2)9-16-21(17,18)14-6-4-3-5-11(14)15/h3-8,12,16H,9H2,1-2H3/t12-/m0/s1
InChIKeyXFUSANOXVOUESS-LBPRGKRZSA-N
MW329.42 g/mol
LogP2.86
Rot. Bonds6

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

2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide (PubChem CID 97417510) has the molecular formula C14H16FNO3S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
PubChem CID97417510
Molecular FormulaC14H16FNO3S2
Molecular Weight329.42 g/mol
Exact Mass329.06
IUPAC Name2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1ccccc1F)c1ccc(C)s1
InChIInChI=1S/C14H16FNO3S2/c1-10-7-8-13(20-10)12(19-2)9-16-21(17,18)14-6-4-3-5-11(14)15/h3-8,12,16H,9H2,1-2H3/t12-/m0/s1
InChIKeyXFUSANOXVOUESS-LBPRGKRZSA-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 2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide (CID 97417510) is 2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide is CO[C@@H](CNS(=O)(=O)c1ccccc1F)c1ccc(C)s1.
What is the InChIKey of 2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
The InChIKey is XFUSANOXVOUESS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16FNO3S2/c1-10-7-8-13(20-10)12(19-2)9-16-21(17,18)14-6-4-3-5-11(14)15/h3-8,12,16H,9H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide?
2-fluoro-N-[(2S)-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 2-fluoro-N-[(2S)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 97417510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).