4-(tert-butylsulfamoyl)thiophene-2-carboxylic acid

C9H13NO4S2 — CID 42562023

IUPAC4-(tert-butylsulfamoyl)thiophene-2-carboxylic acid
SMILESCC(C)(C)NS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C9H13NO4S2/c1-9(2,3)10-16(13,14)6-4-7(8(11)12)15-5-6/h4-5,10H,1-3H3,(H,11,12)
InChIKeyXQYHBFDKLCRCGU-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.52
Rot. Bonds3

About 4-(tert-butylsulfamoyl)thiophene-2-carboxylic acid

4-(tert-butylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 42562023) has the molecular formula C9H13NO4S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(tert-butylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(tert-butylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID42562023
Molecular FormulaC9H13NO4S2
Molecular Weight263.34 g/mol
Exact Mass263.03
IUPAC Name4-(tert-butylsulfamoyl)thiophene-2-carboxylic acid
SMILESCC(C)(C)NS(=O)(=O)c1csc(C(=O)O)c1
InChIInChI=1S/C9H13NO4S2/c1-9(2,3)10-16(13,14)6-4-7(8(11)12)15-5-6/h4-5,10H,1-3H3,(H,11,12)
InChIKeyXQYHBFDKLCRCGU-UHFFFAOYSA-N
XLogP1.52
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(tert-butylsulfamoyl)thiophene-2-carboxylic acid (CID 42562023) is 4-(tert-butylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(tert-butylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(tert-butylsulfamoyl)thiophene-2-carboxylic acid is CC(C)(C)NS(=O)(=O)c1csc(C(=O)O)c1.
What is the InChIKey of 4-(tert-butylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is XQYHBFDKLCRCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S2/c1-9(2,3)10-16(13,14)6-4-7(8(11)12)15-5-6/h4-5,10H,1-3H3,(H,11,12).
What are the key properties of 4-(tert-butylsulfamoyl)thiophene-2-carboxylic acid?
4-(tert-butylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 42562023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).