3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid

C12H8N2O5S2 — CID 106265871

IUPAC3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid
SMILESN#Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2O)s1
InChIInChI=1S/C12H8N2O5S2/c13-6-7-4-5-10(20-7)21(18,19)14-9-3-1-2-8(11(9)15)12(16)17/h1-5,14-15H,(H,16,17)
InChIKeyWYPQMFDQGGZLHW-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.82
Rot. Bonds4

About 3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid

3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid (PubChem CID 106265871) has the molecular formula C12H8N2O5S2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid
PubChem CID106265871
Molecular FormulaC12H8N2O5S2
Molecular Weight324.34 g/mol
Exact Mass323.99
IUPAC Name3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid
SMILESN#Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2O)s1
InChIInChI=1S/C12H8N2O5S2/c13-6-7-4-5-10(20-7)21(18,19)14-9-3-1-2-8(11(9)15)12(16)17/h1-5,14-15H,(H,16,17)
InChIKeyWYPQMFDQGGZLHW-UHFFFAOYSA-N
XLogP1.82
TPSA127.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid
CID 104833093
3-[(4-bromo-5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 66799929
5-cyano-N-naphthalen-1-ylthiophene-2-sulfonamide
CID 106266893
3-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 161390191
3-[(5-cyanothiophen-2-yl)sulfonylamino]benzoic acid
CID 106265350
N-(2-bromo-3-chlorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106269296
5-cyano-N-(2-methylsulfanylphenyl)thiophene-2-sulfonamide
CID 106269401
3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 104833135
6-[(5-cyanothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 106265503
3-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 104833131
5-cyano-N-(4-hydroxyphenyl)thiophene-2-sulfonamide
CID 106269600
3-[(2-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 104833074

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid?
The IUPAC name of 3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid (CID 106265871) is 3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid is N#Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2O)s1.
What is the InChIKey of 3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid?
The InChIKey is WYPQMFDQGGZLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O5S2/c13-6-7-4-5-10(20-7)21(18,19)14-9-3-1-2-8(11(9)15)12(16)17/h1-5,14-15H,(H,16,17).
What are the key properties of 3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid?
3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid has a molecular weight of 324.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 106265871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).