5-[(3-ethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

C14H15NO4S2 — CID 43314463

IUPAC5-[(3-ethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCCc1cccc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)c1
InChIInChI=1S/C14H15NO4S2/c1-3-10-5-4-6-11(8-10)15-21(18,19)12-7-9(2)13(20-12)14(16)17/h4-8,15H,3H2,1-2H3,(H,16,17)
InChIKeyUNAKSNRJNVDAQY-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.12
Rot. Bonds5

About 5-[(3-ethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid

5-[(3-ethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (PubChem CID 43314463) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-[(3-ethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-ethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
PubChem CID43314463
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name5-[(3-ethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
SMILESCCc1cccc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)c1
InChIInChI=1S/C14H15NO4S2/c1-3-10-5-4-6-11(8-10)15-21(18,19)12-7-9(2)13(20-12)14(16)17/h4-8,15H,3H2,1-2H3,(H,16,17)
InChIKeyUNAKSNRJNVDAQY-UHFFFAOYSA-N
XLogP3.12
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Dimethyl 5-[(3,4-dimethylphenyl)sulfamoyl]-3-methylthiophene-2,4-dicarboxylate
CID 2943684
5-Phenyl-3-(toluene-2-sulfonylamino)-thiophene-2-carboxylic acid
CID 503521
5-Phenyl-3-(toluene-3-sulfonylamino)-thiophene-2-carboxylic acid
CID 503522
5-Phenyl-3-(toluene-4-sulfonylamino)-thiophene-2-carboxylic acid
CID 503523
Methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 2808793
2-Methyl-4-(toluene-4-sulfonylamino)-thiophene-3-carboxylic acid
CID 2809655
4-(Thiophene-2-sulfonamido)benzoic acid
CID 873172
Methyl 4-methyl-3-(4-toluidinosulfonyl)thiophene-2-carboxylate
CID 2807966
3-(Thiophene-2-sulfonamido)benzoic acid
CID 800088
Methyl 2-methyl-3-[(2-thienylsulfonyl)amino]benzoate
CID 970871
3,5-Bis(thiophene-2-sulfonamido)benzoic acid
CID 4684737
3-[(4-Carboxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 11244305

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[(3-ethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid (CID 43314463) is 5-[(3-ethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(3-ethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[(3-ethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is CCc1cccc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)c1.
What is the InChIKey of 5-[(3-ethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
The InChIKey is UNAKSNRJNVDAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-3-10-5-4-6-11(8-10)15-21(18,19)12-7-9(2)13(20-12)14(16)17/h4-8,15H,3H2,1-2H3,(H,16,17).
What are the key properties of 5-[(3-ethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid?
5-[(3-ethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 43314463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).