4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid

C9H13NO5S2 — CID 63328778

IUPAC4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)N(C)CCO
InChIInChI=1S/C9H13NO5S2/c1-6-8(5-7(16-6)9(12)13)17(14,15)10(2)3-4-11/h5,11H,3-4H2,1-2H3,(H,12,13)
InChIKeyBDPYFHMPNBZORE-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.37
Rot. Bonds5

About 4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid

4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 63328778) has the molecular formula C9H13NO5S2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID63328778
Molecular FormulaC9H13NO5S2
Molecular Weight279.34 g/mol
Exact Mass279.02
IUPAC Name4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)N(C)CCO
InChIInChI=1S/C9H13NO5S2/c1-6-8(5-7(16-6)9(12)13)17(14,15)10(2)3-4-11/h5,11H,3-4H2,1-2H3,(H,12,13)
InChIKeyBDPYFHMPNBZORE-UHFFFAOYSA-N
XLogP0.37
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid (CID 63328778) is 4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)N(C)CCO.
What is the InChIKey of 4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is BDPYFHMPNBZORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5S2/c1-6-8(5-7(16-6)9(12)13)17(14,15)10(2)3-4-11/h5,11H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid?
4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(methyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 63328778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).