6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C17H18N6O2S — CID 122694383

IUPAC6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(-c2cccc3c2CCCN3)c(-c2nn[nH]n2)c1S(N)(=O)=O
InChIInChI=1S/C17H18N6O2S/c1-10-7-8-13(11-4-2-6-14-12(11)5-3-9-19-14)15(16(10)26(18,24)25)17-20-22-23-21-17/h2,4,6-8,19H,3,5,9H2,1H3,(H2,18,24,25)(H,20,21,22,23)
InChIKeyIUFDEHCWPIGQAS-UHFFFAOYSA-N
MW370.44 g/mol
LogP1.85
Rot. Bonds3

About 6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 122694383) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is 6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID122694383
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(-c2cccc3c2CCCN3)c(-c2nn[nH]n2)c1S(N)(=O)=O
InChIInChI=1S/C17H18N6O2S/c1-10-7-8-13(11-4-2-6-14-12(11)5-3-9-19-14)15(16(10)26(18,24)25)17-20-22-23-21-17/h2,4,6-8,19H,3,5,9H2,1H3,(H2,18,24,25)(H,20,21,22,23)
InChIKeyIUFDEHCWPIGQAS-UHFFFAOYSA-N
XLogP1.85
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 122694383) is 6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is Cc1ccc(-c2cccc3c2CCCN3)c(-c2nn[nH]n2)c1S(N)(=O)=O.
What is the InChIKey of 6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is IUFDEHCWPIGQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-10-7-8-13(11-4-2-6-14-12(11)5-3-9-19-14)15(16(10)26(18,24)25)17-20-22-23-21-17/h2,4,6-8,19H,3,5,9H2,1H3,(H2,18,24,25)(H,20,21,22,23).
What are the key properties of 6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 370.44 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 122694383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).