4-(ethylsulfamoyl)thiophene-2-carboxylic acid

C7H9NO4S2 — CID 61072475

IUPAC4-(ethylsulfamoyl)thiophene-2-carboxylic acid
SMILESCCNS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C7H9NO4S2/c1-2-8-14(11,12)5-3-6(7(9)10)13-4-5/h3-4,8H,2H2,1H3,(H,9,10)
InChIKeyWEEMYLZWNAEIGW-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.74
Rot. Bonds4

About 4-(ethylsulfamoyl)thiophene-2-carboxylic acid

4-(ethylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 61072475) has the molecular formula C7H9NO4S2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-(ethylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(ethylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID61072475
Molecular FormulaC7H9NO4S2
Molecular Weight235.29 g/mol
Exact Mass235.00
IUPAC Name4-(ethylsulfamoyl)thiophene-2-carboxylic acid
SMILESCCNS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C7H9NO4S2/c1-2-8-14(11,12)5-3-6(7(9)10)13-4-5/h3-4,8H,2H2,1H3,(H,9,10)
InChIKeyWEEMYLZWNAEIGW-UHFFFAOYSA-N
XLogP0.74
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-
CID 3042286
5-Methanesulfonylthiophene-2-carboxylic acid
CID 2740497
2-Thiophenecarboxylic Acid, 3-(((2-Methoxy-2-Oxoethyl)Amino)Sulfonyl)-, Methyl Ester
CID 717593
3-(2-Methyl-propane-2-sulfonyl)-thiophene-2-carboxylic acid
CID 769986
methyl 3-(N-methylsulfamoyl)thiophene-2-carboxylate
CID 12906749
Ethanolamine thenoate
CID 44154205
5-Sulfamoylthiophene-2-carboxylic acid
CID 341066
3-Methanesulfonylthiophene-2-carboxylic acid
CID 609810
3-(Cyclopropylsulfamoyl)thiophene-2-carboxylic acid
CID 16227156
4-(Chlorosulfonyl)thiophene-2-carboxylic acid
CID 12704281
3-Methyl-5-sulfamoylthiophene-2-carboxylic acid
CID 43314426
Methyl 3-[(1,1-dioxothiolan-3-yl)sulfamoyl]thiophene-2-carboxylate
CID 2810893

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(ethylsulfamoyl)thiophene-2-carboxylic acid (CID 61072475) is 4-(ethylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(ethylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(ethylsulfamoyl)thiophene-2-carboxylic acid is CCNS(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-(ethylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is WEEMYLZWNAEIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4S2/c1-2-8-14(11,12)5-3-6(7(9)10)13-4-5/h3-4,8H,2H2,1H3,(H,9,10).
What are the key properties of 4-(ethylsulfamoyl)thiophene-2-carboxylic acid?
4-(ethylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 61072475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).