3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid

C11H17NO4S2 — CID 62200209

IUPAC3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCCCCC(C)NS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C11H17NO4S2/c1-3-4-5-8(2)12-18(15,16)9-6-7-17-10(9)11(13)14/h6-8,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyUDONTHGYBZURFL-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.30
Rot. Bonds7

About 3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid

3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 62200209) has the molecular formula C11H17NO4S2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID62200209
Molecular FormulaC11H17NO4S2
Molecular Weight291.39 g/mol
Exact Mass291.06
IUPAC Name3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESCCCCC(C)NS(=O)(=O)c1ccsc1C(=O)O
InChIInChI=1S/C11H17NO4S2/c1-3-4-5-8(2)12-18(15,16)9-6-7-17-10(9)11(13)14/h6-8,12H,3-5H2,1-2H3,(H,13,14)
InChIKeyUDONTHGYBZURFL-UHFFFAOYSA-N
XLogP2.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylpentan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 54950851
3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125
(2S)-2-[(2-methoxycarbonylthiophen-3-yl)sulfonylamino]hexanoic acid
CID 104934657
3-(4-methylpentylsulfamoyl)thiophene-2-carboxylic acid
CID 60745563
3-(dibutylsulfamoyl)thiophene-2-carboxylic acid
CID 43145434
2,6-difluoro-3-(hexan-2-ylsulfamoyl)benzoic acid
CID 62199651
3-(heptan-2-ylsulfamoyl)-4-methylthiophene-2-carboxylic acid
CID 102748093
4-methyl-3-(octan-2-ylsulfamoyl)thiophene-2-carboxylic acid
CID 102748162
3-[[(1S)-1-(2-methylphenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81354448
3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 51681297
3-(1-cyclohexylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 62406837
3-[2-[di(propan-2-yl)amino]ethylsulfamoyl]thiophene-2-carboxylic acid
CID 43235766

Frequently Asked Questions

What is the IUPAC name of 3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid (CID 62200209) is 3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid is CCCCC(C)NS(=O)(=O)c1ccsc1C(=O)O.
What is the InChIKey of 3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is UDONTHGYBZURFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S2/c1-3-4-5-8(2)12-18(15,16)9-6-7-17-10(9)11(13)14/h6-8,12H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid?
3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 291.39 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hexan-2-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 62200209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).