2-sulfonyl-1H-quinolin-4-ol

C9H7NO3S — CID 54106593

IUPAC2-sulfonyl-1H-quinolin-4-ol
SMILESO=S(=O)=c1cc(O)c2ccccc2[nH]1
InChIInChI=1S/C9H7NO3S/c11-8-5-9(14(12)13)10-7-4-2-1-3-6(7)8/h1-5,10-11H
InChIKeyNEEKUVFVZPWSPI-UHFFFAOYSA-N
MW209.23 g/mol
LogP1.28
Rot. Bonds

About 2-sulfonyl-1H-quinolin-4-ol

2-sulfonyl-1H-quinolin-4-ol (PubChem CID 54106593) has the molecular formula C9H7NO3S and a molecular weight of 209.23 g/mol. Its IUPAC name is 2-sulfonyl-1H-quinolin-4-ol.

Molecular Properties

Compound Name2-sulfonyl-1H-quinolin-4-ol
PubChem CID54106593
Molecular FormulaC9H7NO3S
Molecular Weight209.23 g/mol
Exact Mass209.01
IUPAC Name2-sulfonyl-1H-quinolin-4-ol
SMILESO=S(=O)=c1cc(O)c2ccccc2[nH]1
InChIInChI=1S/C9H7NO3S/c11-8-5-9(14(12)13)10-7-4-2-1-3-6(7)8/h1-5,10-11H
InChIKeyNEEKUVFVZPWSPI-UHFFFAOYSA-N
XLogP1.28
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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9H-carbazole;carbonic acid
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CID 14523217
9H-carbazole
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9H-carbazole;thiophen-2-ol
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9H-carbazole;copper
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bis(9H-carbazole);platinum(2+)
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CID 10419816
7,17,24,34-tetrazanonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1(20),2,4(16),5,8,10,12,14,18,21(33),22,25,27,29,31-pentadecaene
CID 58471811
10H-acridin-9-one
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Frequently Asked Questions

What is the IUPAC name of 2-sulfonyl-1H-quinolin-4-ol?
The IUPAC name of 2-sulfonyl-1H-quinolin-4-ol (CID 54106593) is 2-sulfonyl-1H-quinolin-4-ol.
What is the SMILES notation for 2-sulfonyl-1H-quinolin-4-ol?
The canonical SMILES for 2-sulfonyl-1H-quinolin-4-ol is O=S(=O)=c1cc(O)c2ccccc2[nH]1.
What is the InChIKey of 2-sulfonyl-1H-quinolin-4-ol?
The InChIKey is NEEKUVFVZPWSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S/c11-8-5-9(14(12)13)10-7-4-2-1-3-6(7)8/h1-5,10-11H.
What are the key properties of 2-sulfonyl-1H-quinolin-4-ol?
2-sulfonyl-1H-quinolin-4-ol has a molecular weight of 209.23 g/mol, XLogP of 1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfonyl-1H-quinolin-4-ol is sourced from PubChem (CID 54106593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).