5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid

C10H9NO4S3 — CID 43242554

IUPAC5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C10H9NO4S3/c12-10(13)7-4-9(17-6-7)18(14,15)11-5-8-2-1-3-16-8/h1-4,6,11H,5H2,(H,12,13)
InChIKeySLMYRTSNRVSRRF-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.99
Rot. Bonds5

About 5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid

5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid (PubChem CID 43242554) has the molecular formula C10H9NO4S3 and a molecular weight of 303.39 g/mol. Its IUPAC name is 5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid
PubChem CID43242554
Molecular FormulaC10H9NO4S3
Molecular Weight303.39 g/mol
Exact Mass302.97
IUPAC Name5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)NCc2cccs2)c1
InChIInChI=1S/C10H9NO4S3/c12-10(13)7-4-9(17-6-7)18(14,15)11-5-8-2-1-3-16-8/h1-4,6,11H,5H2,(H,12,13)
InChIKeySLMYRTSNRVSRRF-UHFFFAOYSA-N
XLogP1.99
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-bromophenyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 61401933
4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 43242507
3-methoxy-4-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 102694688
5-(2-methylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 29033671
5-(2-aminoethylsulfamoyl)thiophene-3-carboxylic acid
CID 61402682
4-bromo-3-methyl-5-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 104654364
5-(1-thiophen-2-ylpropylsulfamoyl)thiophene-3-carboxylic acid
CID 61068619
5-[(3-ethyl-2-pyridinyl)methylsulfamoyl]thiophene-3-carboxylic acid
CID 82732518
4-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(thiophen-2-ylmethyl)thiophene-2-sulfonamide
CID 46380257
5-methyl-4-(thiophen-2-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62803440
2-methyl-5-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 2447471
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]thiophene-3-carboxylic acid
CID 43214885

Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid?
The IUPAC name of 5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid (CID 43242554) is 5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid?
The canonical SMILES for 5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)NCc2cccs2)c1.
What is the InChIKey of 5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid?
The InChIKey is SLMYRTSNRVSRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S3/c12-10(13)7-4-9(17-6-7)18(14,15)11-5-8-2-1-3-16-8/h1-4,6,11H,5H2,(H,12,13).
What are the key properties of 5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid?
5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid has a molecular weight of 303.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-2-ylmethylsulfamoyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 43242554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).