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

C13H13ClFNO3S2 — CID 91325747

IUPAC5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide
SMILESCN(CC(O)c1ccc(F)cc1)S(=O)(=O)c1csc(Cl)c1
InChIInChI=1S/C13H13ClFNO3S2/c1-16(21(18,19)11-6-13(14)20-8-11)7-12(17)9-2-4-10(15)5-3-9/h2-6,8,12,17H,7H2,1H3
InChIKeyNGFIVNYZWVXGIA-UHFFFAOYSA-N
MW349.84 g/mol
LogP2.89
Rot. Bonds5

About 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide

5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide (PubChem CID 91325747) has the molecular formula C13H13ClFNO3S2 and a molecular weight of 349.84 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide
PubChem CID91325747
Molecular FormulaC13H13ClFNO3S2
Molecular Weight349.84 g/mol
Exact Mass349.00
IUPAC Name5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide
SMILESCN(CC(O)c1ccc(F)cc1)S(=O)(=O)c1csc(Cl)c1
InChIInChI=1S/C13H13ClFNO3S2/c1-16(21(18,19)11-6-13(14)20-8-11)7-12(17)9-2-4-10(15)5-3-9/h2-6,8,12,17H,7H2,1H3
InChIKeyNGFIVNYZWVXGIA-UHFFFAOYSA-N
XLogP2.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide (CID 91325747) is 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide is CN(CC(O)c1ccc(F)cc1)S(=O)(=O)c1csc(Cl)c1.
What is the InChIKey of 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide?
The InChIKey is NGFIVNYZWVXGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO3S2/c1-16(21(18,19)11-6-13(14)20-8-11)7-12(17)9-2-4-10(15)5-3-9/h2-6,8,12,17H,7H2,1H3.
What are the key properties of 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide?
5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide has a molecular weight of 349.84 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 91325747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).