3-(5,6,7,8-tetrahydroquinolin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide

C16H20N6O2S — CID 134823646

IUPAC3-(5,6,7,8-tetrahydroquinolin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C2CCCc3ncccc32)c1C1NNNN1
InChIInChI=1S/C16H20N6O2S/c17-25(23,24)14-8-2-5-12(15(14)16-19-21-22-20-16)10-4-1-7-13-11(10)6-3-9-18-13/h2-3,5-6,8-10,16,19-22H,1,4,7H2,(H2,17,23,24)
InChIKeyRERUJUIPMKASSO-UHFFFAOYSA-N
MW360.44 g/mol
LogP0.31
Rot. Bonds3

About 3-(5,6,7,8-tetrahydroquinolin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide

3-(5,6,7,8-tetrahydroquinolin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 134823646) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydroquinolin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydroquinolin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID134823646
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name3-(5,6,7,8-tetrahydroquinolin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C2CCCc3ncccc32)c1C1NNNN1
InChIInChI=1S/C16H20N6O2S/c17-25(23,24)14-8-2-5-12(15(14)16-19-21-22-20-16)10-4-1-7-13-11(10)6-3-9-18-13/h2-3,5-6,8-10,16,19-22H,1,4,7H2,(H2,17,23,24)
InChIKeyRERUJUIPMKASSO-UHFFFAOYSA-N
XLogP0.31
TPSA121.17 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 50.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydroquinolin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 3-(5,6,7,8-tetrahydroquinolin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide (CID 134823646) is 3-(5,6,7,8-tetrahydroquinolin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(5,6,7,8-tetrahydroquinolin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(5,6,7,8-tetrahydroquinolin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(C2CCCc3ncccc32)c1C1NNNN1.
What is the InChIKey of 3-(5,6,7,8-tetrahydroquinolin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is RERUJUIPMKASSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c17-25(23,24)14-8-2-5-12(15(14)16-19-21-22-20-16)10-4-1-7-13-11(10)6-3-9-18-13/h2-3,5-6,8-10,16,19-22H,1,4,7H2,(H2,17,23,24).
What are the key properties of 3-(5,6,7,8-tetrahydroquinolin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide?
3-(5,6,7,8-tetrahydroquinolin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 0.31, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydroquinolin-5-yl)-2-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134823646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).