6-(2-hydroxyethyl)-3-quinolin-5-yl-2-(tetrazolidin-5-yl)benzenesulfonamide

C18H20N6O3S — CID 134823656

IUPAC6-(2-hydroxyethyl)-3-quinolin-5-yl-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(CCO)ccc(-c2cccc3ncccc23)c1C1NNNN1
InChIInChI=1S/C18H20N6O3S/c19-28(26,27)17-11(8-10-25)6-7-14(16(17)18-21-23-24-22-18)12-3-1-5-15-13(12)4-2-9-20-15/h1-7,9,18,21-25H,8,10H2,(H2,19,26,27)
InChIKeyFDONSDLWMJEYKN-UHFFFAOYSA-N
MW400.46 g/mol
LogP0.20
Rot. Bonds5

About 6-(2-hydroxyethyl)-3-quinolin-5-yl-2-(tetrazolidin-5-yl)benzenesulfonamide

6-(2-hydroxyethyl)-3-quinolin-5-yl-2-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 134823656) has the molecular formula C18H20N6O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-3-quinolin-5-yl-2-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-3-quinolin-5-yl-2-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID134823656
Molecular FormulaC18H20N6O3S
Molecular Weight400.46 g/mol
Exact Mass400.13
IUPAC Name6-(2-hydroxyethyl)-3-quinolin-5-yl-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(CCO)ccc(-c2cccc3ncccc23)c1C1NNNN1
InChIInChI=1S/C18H20N6O3S/c19-28(26,27)17-11(8-10-25)6-7-14(16(17)18-21-23-24-22-18)12-3-1-5-15-13(12)4-2-9-20-15/h1-7,9,18,21-25H,8,10H2,(H2,19,26,27)
InChIKeyFDONSDLWMJEYKN-UHFFFAOYSA-N
XLogP0.20
TPSA141.40 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.46
LogP ≤ 50.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-3-quinolin-5-yl-2-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 6-(2-hydroxyethyl)-3-quinolin-5-yl-2-(tetrazolidin-5-yl)benzenesulfonamide (CID 134823656) is 6-(2-hydroxyethyl)-3-quinolin-5-yl-2-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 6-(2-hydroxyethyl)-3-quinolin-5-yl-2-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 6-(2-hydroxyethyl)-3-quinolin-5-yl-2-(tetrazolidin-5-yl)benzenesulfonamide is NS(=O)(=O)c1c(CCO)ccc(-c2cccc3ncccc23)c1C1NNNN1.
What is the InChIKey of 6-(2-hydroxyethyl)-3-quinolin-5-yl-2-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is FDONSDLWMJEYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3S/c19-28(26,27)17-11(8-10-25)6-7-14(16(17)18-21-23-24-22-18)12-3-1-5-15-13(12)4-2-9-20-15/h1-7,9,18,21-25H,8,10H2,(H2,19,26,27).
What are the key properties of 6-(2-hydroxyethyl)-3-quinolin-5-yl-2-(tetrazolidin-5-yl)benzenesulfonamide?
6-(2-hydroxyethyl)-3-quinolin-5-yl-2-(tetrazolidin-5-yl)benzenesulfonamide has a molecular weight of 400.46 g/mol, XLogP of 0.20, 5 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-3-quinolin-5-yl-2-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134823656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).