3-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylsulfamoyl]thiophene-2-carboxylic acid

C14H14FNO5S2 — CID 21098590

IUPAC3-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCN(CC(O)c1ccc(F)cc1)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C14H14FNO5S2/c1-16(8-11(17)9-2-4-10(15)5-3-9)23(20,21)12-6-7-22-13(12)14(18)19/h2-7,11,17H,8H2,1H3,(H,18,19)
InChIKeyHXEWJNBSDRBKRD-UHFFFAOYSA-N
MW359.40 g/mol
LogP1.94
Rot. Bonds6

About 3-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylsulfamoyl]thiophene-2-carboxylic acid

3-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 21098590) has the molecular formula C14H14FNO5S2 and a molecular weight of 359.40 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID21098590
Molecular FormulaC14H14FNO5S2
Molecular Weight359.40 g/mol
Exact Mass359.03
IUPAC Name3-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCN(CC(O)c1ccc(F)cc1)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C14H14FNO5S2/c1-16(8-11(17)9-2-4-10(15)5-3-9)23(20,21)12-6-7-22-13(12)14(18)19/h2-7,11,17H,8H2,1H3,(H,18,19)
InChIKeyHXEWJNBSDRBKRD-UHFFFAOYSA-N
XLogP1.94
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylsulfamoyl]thiophene-2-carboxylic acid (CID 21098590) is 3-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylsulfamoyl]thiophene-2-carboxylic acid is CN(CC(O)c1ccc(F)cc1)S(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is HXEWJNBSDRBKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO5S2/c1-16(8-11(17)9-2-4-10(15)5-3-9)23(20,21)12-6-7-22-13(12)14(18)19/h2-7,11,17H,8H2,1H3,(H,18,19).
What are the key properties of 3-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylsulfamoyl]thiophene-2-carboxylic acid?
3-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 359.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)-2-hydroxyethyl]-methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 21098590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).