5-[methyl-(3-propan-2-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid

C15H17NO4S2 — CID 56799175

IUPAC5-[methyl-(3-propan-2-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCC(C)c1cccc(N(C)S(=O)(=O)c2cc(C(=O)O)cs2)c1
InChIInChI=1S/C15H17NO4S2/c1-10(2)11-5-4-6-13(7-11)16(3)22(19,20)14-8-12(9-21-14)15(17)18/h4-10H,1-3H3,(H,17,18)
InChIKeySGPFJEQLDMYMKO-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.39
Rot. Bonds5

About 5-[methyl-(3-propan-2-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid

5-[methyl-(3-propan-2-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 56799175) has the molecular formula C15H17NO4S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-[methyl-(3-propan-2-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[methyl-(3-propan-2-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID56799175
Molecular FormulaC15H17NO4S2
Molecular Weight339.44 g/mol
Exact Mass339.06
IUPAC Name5-[methyl-(3-propan-2-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCC(C)c1cccc(N(C)S(=O)(=O)c2cc(C(=O)O)cs2)c1
InChIInChI=1S/C15H17NO4S2/c1-10(2)11-5-4-6-13(7-11)16(3)22(19,20)14-8-12(9-21-14)15(17)18/h4-10H,1-3H3,(H,17,18)
InChIKeySGPFJEQLDMYMKO-UHFFFAOYSA-N
XLogP3.39
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl-(3-propan-2-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[methyl-(3-propan-2-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid (CID 56799175) is 5-[methyl-(3-propan-2-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[methyl-(3-propan-2-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[methyl-(3-propan-2-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid is CC(C)c1cccc(N(C)S(=O)(=O)c2cc(C(=O)O)cs2)c1.
What is the InChIKey of 5-[methyl-(3-propan-2-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is SGPFJEQLDMYMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S2/c1-10(2)11-5-4-6-13(7-11)16(3)22(19,20)14-8-12(9-21-14)15(17)18/h4-10H,1-3H3,(H,17,18).
What are the key properties of 5-[methyl-(3-propan-2-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[methyl-(3-propan-2-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 339.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-(3-propan-2-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 56799175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).