4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide

C14H16FNO3S2 — CID 97414469

IUPAC4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1ccc(F)cc1C)c1ccsc1
InChIInChI=1S/C14H16FNO3S2/c1-10-7-12(15)3-4-14(10)21(17,18)16-8-13(19-2)11-5-6-20-9-11/h3-7,9,13,16H,8H2,1-2H3/t13-/m0/s1
InChIKeyLSWZHJYQVKCVRW-ZDUSSCGKSA-N
MW329.42 g/mol
LogP2.86
Rot. Bonds6

About 4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide

4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide (PubChem CID 97414469) has the molecular formula C14H16FNO3S2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide
PubChem CID97414469
Molecular FormulaC14H16FNO3S2
Molecular Weight329.42 g/mol
Exact Mass329.06
IUPAC Name4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide
SMILESCO[C@@H](CNS(=O)(=O)c1ccc(F)cc1C)c1ccsc1
InChIInChI=1S/C14H16FNO3S2/c1-10-7-12(15)3-4-14(10)21(17,18)16-8-13(19-2)11-5-6-20-9-11/h3-7,9,13,16H,8H2,1-2H3/t13-/m0/s1
InChIKeyLSWZHJYQVKCVRW-ZDUSSCGKSA-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-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide (CID 97414469) is 4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide is CO[C@@H](CNS(=O)(=O)c1ccc(F)cc1C)c1ccsc1.
What is the InChIKey of 4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide?
The InChIKey is LSWZHJYQVKCVRW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H16FNO3S2/c1-10-7-12(15)3-4-14(10)21(17,18)16-8-13(19-2)11-5-6-20-9-11/h3-7,9,13,16H,8H2,1-2H3/t13-/m0/s1.
What are the key properties of 4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide?
4-fluoro-N-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide 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-[(2R)-2-methoxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 97414469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).