3-(butylsulfamoyl)thiophene-2-carboxylic acid

C9H13NO4S2 — CID 17221125

IUPAC3-(butylsulfamoyl)thiophene-2-carboxylic acid
SMILESCCCCNS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C9H13NO4S2/c1-2-3-5-10-16(13,14)7-4-6-15-8(7)9(11)12/h4,6,10H,2-3,5H2,1H3,(H,11,12)
InChIKeyOHYUIKYHLCERFY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.52
Rot. Bonds6

About 3-(butylsulfamoyl)thiophene-2-carboxylic acid

3-(butylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 17221125) has the molecular formula C9H13NO4S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(butylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(butylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID17221125
Molecular FormulaC9H13NO4S2
Molecular Weight263.34 g/mol
Exact Mass263.03
IUPAC Name3-(butylsulfamoyl)thiophene-2-carboxylic acid
SMILESCCCCNS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C9H13NO4S2/c1-2-3-5-10-16(13,14)7-4-6-15-8(7)9(11)12/h4,6,10H,2-3,5H2,1H3,(H,11,12)
InChIKeyOHYUIKYHLCERFY-UHFFFAOYSA-N
XLogP1.52
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylpentylsulfamoyl)thiophene-2-carboxylic acid
CID 60745563
3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid
CID 107316565
3-[(4-ethoxy-4-oxobutyl)sulfamoyl]thiophene-2-carboxylic acid
CID 60709040
3-(4,4,4-trifluorobutylsulfamoyl)thiophene-2-carboxylic acid
CID 113326823
3-[[3-(diethylamino)-3-oxopropyl]sulfamoyl]thiophene-2-carboxylic acid
CID 60925499
3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
CID 43235766
3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61167041
3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 62200209
methyl 3-(hexylsulfamoyl)thiophene-2-carboxylate;molecular hydrogen;propane
CID 142506326
3-[3-(1-methyl-1,2,4-triazol-3-yl)propylsulfamoyl]thiophene-2-carboxylic acid
CID 139014035
3-[2-(2-hydroxyethoxy)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 62499441
3-(dibutylsulfamoyl)thiophene-2-carboxylic acid
CID 43145434

Frequently Asked Questions

What is the IUPAC name of 3-(butylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(butylsulfamoyl)thiophene-2-carboxylic acid (CID 17221125) is 3-(butylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(butylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(butylsulfamoyl)thiophene-2-carboxylic acid is CCCCNS(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-(butylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is OHYUIKYHLCERFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S2/c1-2-3-5-10-16(13,14)7-4-6-15-8(7)9(11)12/h4,6,10H,2-3,5H2,1H3,(H,11,12).
What are the key properties of 3-(butylsulfamoyl)thiophene-2-carboxylic acid?
3-(butylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 17221125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).