3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid

C9H6ClNO4S3 — CID 43443028

IUPAC3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H6ClNO4S3/c10-6-1-2-7(17-6)18(14,15)11-5-3-4-16-8(5)9(12)13/h1-4,11H,(H,12,13)
InChIKeyGUOODICBLRMEHR-UHFFFAOYSA-N
MW323.80 g/mol
LogP2.96
Rot. Bonds4

About 3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid

3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid (PubChem CID 43443028) has the molecular formula C9H6ClNO4S3 and a molecular weight of 323.80 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid
PubChem CID43443028
Molecular FormulaC9H6ClNO4S3
Molecular Weight323.80 g/mol
Exact Mass322.91
IUPAC Name3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C9H6ClNO4S3/c10-6-1-2-7(17-6)18(14,15)11-5-3-4-16-8(5)9(12)13/h1-4,11H,(H,12,13)
InChIKeyGUOODICBLRMEHR-UHFFFAOYSA-N
XLogP2.96
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-3-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid
CID 103866901
4-bromo-2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoic acid
CID 60916262
3-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 113341680
4-[(5-chlorothiophen-2-yl)sulfonylamino]-1-methylpyrazole-5-carboxylic acid
CID 146124933
3-[(4-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 16771674
3-[(4-chloro-2-methoxyphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443083
5-chloro-N-(4-chloro-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 81434366
methyl 3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]thiophene-2-carboxylate
CID 17442532
methyl 3-[(5-ethylthiophen-2-yl)sulfonylamino]thiophene-2-carboxylate
CID 47309729
bromomethane;3-[(2,3-dimethylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 90762756
3-[(5-bromo-2-methylphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443081
5-chloro-N-(2,4-dibromophenyl)thiophene-2-sulfonamide
CID 4845679

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid (CID 43443028) is 3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid is O=C(O)c1sccc1NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid?
The InChIKey is GUOODICBLRMEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO4S3/c10-6-1-2-7(17-6)18(14,15)11-5-3-4-16-8(5)9(12)13/h1-4,11H,(H,12,13).
What are the key properties of 3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid?
3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid has a molecular weight of 323.80 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)sulfonylamino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43443028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).