3-(dibutylsulfamoyl)thiophene-2-carboxylic acid

C13H21NO4S2 — CID 43145434

IUPAC3-(dibutylsulfamoyl)thiophene-2-carboxylic acid
SMILESCCCCN(CCCC)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C13H21NO4S2/c1-3-5-8-14(9-6-4-2)20(17,18)11-7-10-19-12(11)13(15)16/h7,10H,3-6,8-9H2,1-2H3,(H,15,16)
InChIKeyOSZDWOKUQOVTJS-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.04
Rot. Bonds9

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

3-(dibutylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 43145434) has the molecular formula C13H21NO4S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-(dibutylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(dibutylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID43145434
Molecular FormulaC13H21NO4S2
Molecular Weight319.45 g/mol
Exact Mass319.09
IUPAC Name3-(dibutylsulfamoyl)thiophene-2-carboxylic acid
SMILESCCCCN(CCCC)S(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C13H21NO4S2/c1-3-5-8-14(9-6-4-2)20(17,18)11-7-10-19-12(11)13(15)16/h7,10H,3-6,8-9H2,1-2H3,(H,15,16)
InChIKeyOSZDWOKUQOVTJS-UHFFFAOYSA-N
XLogP3.04
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(pentyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43294757
3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125
3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 62200209
3-[2-cyanoethyl(2-methoxyethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63285895
3-[2-cyanoethyl(methyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43089813
3-[[butyl(methyl)sulfamoyl]amino]thiophene-2-carboxylic acid
CID 43443054
3-[2-methoxyethyl(1-methoxypropan-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 61060900
3-[2-methylpropyl(pentan-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 79490962
N-butyl-3-methyl-N-propylthiophene-2-sulfonamide
CID 66929902
2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 60951844
3-[(2-amino-2-oxoethyl)-propan-2-ylsulfamoyl]thiophene-2-carboxylic acid
CID 43402887
3-sulfothiophene-2-carboxylic acid;hydrochloride
CID 174927942

Frequently Asked Questions

What is the IUPAC name of 3-(dibutylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(dibutylsulfamoyl)thiophene-2-carboxylic acid (CID 43145434) is 3-(dibutylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(dibutylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(dibutylsulfamoyl)thiophene-2-carboxylic acid is CCCCN(CCCC)S(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-(dibutylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is OSZDWOKUQOVTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4S2/c1-3-5-8-14(9-6-4-2)20(17,18)11-7-10-19-12(11)13(15)16/h7,10H,3-6,8-9H2,1-2H3,(H,15,16).
What are the key properties of 3-(dibutylsulfamoyl)thiophene-2-carboxylic acid?
3-(dibutylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 319.45 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dibutylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 43145434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).