5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-sulfonamide

C15H16FNO4S2 — CID 21098642

IUPAC5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-sulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(O)c2ccc(F)cc2)s1
InChIInChI=1S/C15H16FNO4S2/c1-10(18)14-7-8-15(22-14)23(20,21)17(2)9-13(19)11-3-5-12(16)6-4-11/h3-8,13,19H,9H2,1-2H3
InChIKeyWXOIKTYMOJUAIS-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.44
Rot. Bonds6

About 5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-sulfonamide

5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-sulfonamide (PubChem CID 21098642) has the molecular formula C15H16FNO4S2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-sulfonamide
PubChem CID21098642
Molecular FormulaC15H16FNO4S2
Molecular Weight357.43 g/mol
Exact Mass357.05
IUPAC Name5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-sulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CC(O)c2ccc(F)cc2)s1
InChIInChI=1S/C15H16FNO4S2/c1-10(18)14-7-8-15(22-14)23(20,21)17(2)9-13(19)11-3-5-12(16)6-4-11/h3-8,13,19H,9H2,1-2H3
InChIKeyWXOIKTYMOJUAIS-UHFFFAOYSA-N
XLogP2.44
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-sulfonamide?
The IUPAC name of 5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-sulfonamide (CID 21098642) is 5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-sulfonamide is CC(=O)c1ccc(S(=O)(=O)N(C)CC(O)c2ccc(F)cc2)s1.
What is the InChIKey of 5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-sulfonamide?
The InChIKey is WXOIKTYMOJUAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4S2/c1-10(18)14-7-8-15(22-14)23(20,21)17(2)9-13(19)11-3-5-12(16)6-4-11/h3-8,13,19H,9H2,1-2H3.
What are the key properties of 5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-sulfonamide?
5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-sulfonamide has a molecular weight of 357.43 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-2-sulfonamide is sourced from PubChem (CID 21098642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).