N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide

C13H14FNO3S2 — CID 21098591

IUPACN-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide
SMILESCN(CC(O)c1ccc(F)cc1)S(=O)(=O)c1ccsc1
InChIInChI=1S/C13H14FNO3S2/c1-15(20(17,18)12-6-7-19-9-12)8-13(16)10-2-4-11(14)5-3-10/h2-7,9,13,16H,8H2,1H3
InChIKeyQSNBKQTZQKGSKL-UHFFFAOYSA-N
MW315.39 g/mol
LogP2.24
Rot. Bonds5

About N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide

N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide (PubChem CID 21098591) has the molecular formula C13H14FNO3S2 and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide
PubChem CID21098591
Molecular FormulaC13H14FNO3S2
Molecular Weight315.39 g/mol
Exact Mass315.04
IUPAC NameN-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide
SMILESCN(CC(O)c1ccc(F)cc1)S(=O)(=O)c1ccsc1
InChIInChI=1S/C13H14FNO3S2/c1-15(20(17,18)12-6-7-19-9-12)8-13(16)10-2-4-11(14)5-3-10/h2-7,9,13,16H,8H2,1H3
InChIKeyQSNBKQTZQKGSKL-UHFFFAOYSA-N
XLogP2.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide (CID 21098591) is N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide is CN(CC(O)c1ccc(F)cc1)S(=O)(=O)c1ccsc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide?
The InChIKey is QSNBKQTZQKGSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S2/c1-15(20(17,18)12-6-7-19-9-12)8-13(16)10-2-4-11(14)5-3-10/h2-7,9,13,16H,8H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide?
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide has a molecular weight of 315.39 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 21098591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).