5-chloro-3-sulfamoylthiophene-2-carboxylic acid

C5H4ClNO4S2 — CID 25219388

IUPAC5-chloro-3-sulfamoylthiophene-2-carboxylic acid
SMILESNS(=O)(=O)c1cc(Cl)sc1C(=O)O
InChIInChI=1S/C5H4ClNO4S2/c6-3-1-2(13(7,10)11)4(12-3)5(8)9/h1H,(H,8,9)(H2,7,10,11)
InChIKeyDLCJPZJBDWBNQJ-UHFFFAOYSA-N
MW241.68 g/mol
LogP0.75
Rot. Bonds2

About 5-chloro-3-sulfamoylthiophene-2-carboxylic acid

5-chloro-3-sulfamoylthiophene-2-carboxylic acid (PubChem CID 25219388) has the molecular formula C5H4ClNO4S2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 5-chloro-3-sulfamoylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-chloro-3-sulfamoylthiophene-2-carboxylic acid
PubChem CID25219388
Molecular FormulaC5H4ClNO4S2
Molecular Weight241.68 g/mol
Exact Mass240.93
IUPAC Name5-chloro-3-sulfamoylthiophene-2-carboxylic acid
SMILESNS(=O)(=O)c1cc(Cl)sc1C(=O)O
InChIInChI=1S/C5H4ClNO4S2/c6-3-1-2(13(7,10)11)4(12-3)5(8)9/h1H,(H,8,9)(H2,7,10,11)
InChIKeyDLCJPZJBDWBNQJ-UHFFFAOYSA-N
XLogP0.75
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-2-thiophenecarboxylic acid
CID 95048
2-Thiophenecarboxylic acid, 3-(aminosulfonyl)-
CID 3042286
4,5-Dichlorothiophene-2-carboxylic acid
CID 305687
3-Chloro-4-(methylsulfonyl)thiophene-2-carboxylic acid
CID 2735776
5-(Chlorosulfonyl)thiophene-2-carboxylic acid
CID 12704282
Methyl 5-chloro-3-(chlorosulfonyl)thiophene-2-carboxylate
CID 10869516
5-Sulfamoylthiophene-2-carboxylic acid
CID 341066
3-Chloro-4-(propane-2-sulfonyl)-thiophene-2-carboxylic acid
CID 2819856
4-Chlorothiophene-2-carboxylic acid
CID 12290695
5-Chloro-3-sulfinothiophene-2-carboxylic acid
CID 17888047
4-Sulfamoylthiophene-2-carboxylic acid
CID 1273926
Methyl 5-chloro-3-(methylsulfamoyl)thiophene-2-carboxylate
CID 17609505

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-sulfamoylthiophene-2-carboxylic acid?
The IUPAC name of 5-chloro-3-sulfamoylthiophene-2-carboxylic acid (CID 25219388) is 5-chloro-3-sulfamoylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-chloro-3-sulfamoylthiophene-2-carboxylic acid?
The canonical SMILES for 5-chloro-3-sulfamoylthiophene-2-carboxylic acid is NS(=O)(=O)c1cc(Cl)sc1C(=O)O.
What is the InChIKey of 5-chloro-3-sulfamoylthiophene-2-carboxylic acid?
The InChIKey is DLCJPZJBDWBNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNO4S2/c6-3-1-2(13(7,10)11)4(12-3)5(8)9/h1H,(H,8,9)(H2,7,10,11).
What are the key properties of 5-chloro-3-sulfamoylthiophene-2-carboxylic acid?
5-chloro-3-sulfamoylthiophene-2-carboxylic acid has a molecular weight of 241.68 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-sulfamoylthiophene-2-carboxylic acid is sourced from PubChem (CID 25219388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).