3-[ethyl(phenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

C14H15NO4S2 — CID 102747558

IUPAC3-[ethyl(phenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCCN(c1ccccc1)S(=O)(=O)c1c(C)csc1C(=O)O
InChIInChI=1S/C14H15NO4S2/c1-3-15(11-7-5-4-6-8-11)21(18,19)13-10(2)9-20-12(13)14(16)17/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyMJQABDBCTZVRGN-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.97
Rot. Bonds5

About 3-[ethyl(phenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid

3-[ethyl(phenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (PubChem CID 102747558) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[ethyl(phenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(phenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
PubChem CID102747558
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name3-[ethyl(phenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
SMILESCCN(c1ccccc1)S(=O)(=O)c1c(C)csc1C(=O)O
InChIInChI=1S/C14H15NO4S2/c1-3-15(11-7-5-4-6-8-11)21(18,19)13-10(2)9-20-12(13)14(16)17/h4-9H,3H2,1-2H3,(H,16,17)
InChIKeyMJQABDBCTZVRGN-UHFFFAOYSA-N
XLogP2.97
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748996
3-[ethyl(prop-2-ynyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102749121
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
4-methyl-3-[methyl-[(3-methylthiophen-2-yl)methyl]sulfamoyl]thiophene-2-carboxylic acid
CID 102748355
2-[ethyl(phenyl)sulfamoyl]benzoic acid
CID 18615557
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
N-ethyl-4-nitro-N-phenylbenzenesulfonamide
CID 779735
3-(1,3-dihydroisoindol-2-ylsulfonyl)-4-methylthiophene-2-carboxylic acid
CID 102748662
methyl 3-[ethyl(phenyl)sulfamoyl]thiophene-2-carboxylate
CID 3367491
N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(2-methylphenyl)acetamide
CID 26163250
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 5074832
(3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2683510

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 3-[ethyl(phenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid (CID 102747558) is 3-[ethyl(phenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[ethyl(phenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[ethyl(phenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is CCN(c1ccccc1)S(=O)(=O)c1c(C)csc1C(=O)O.
What is the InChIKey of 3-[ethyl(phenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
The InChIKey is MJQABDBCTZVRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-3-15(11-7-5-4-6-8-11)21(18,19)13-10(2)9-20-12(13)14(16)17/h4-9H,3H2,1-2H3,(H,16,17).
What are the key properties of 3-[ethyl(phenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid?
3-[ethyl(phenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(phenyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 102747558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).