3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide

C16H22N6O2S — CID 130230599

IUPAC3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(N2CCC3(CCC3)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O
InChIInChI=1S/C16H22N6O2S/c1-11-3-4-12(22-9-7-16(8-10-22)5-2-6-16)13(14(11)25(17,23)24)15-18-20-21-19-15/h3-4H,2,5-10H2,1H3,(H2,17,23,24)(H,18,19,20,21)
InChIKeyGDDNHORTEKBMIX-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.59
Rot. Bonds3

About 3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 130230599) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is 3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID130230599
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC Name3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(N2CCC3(CCC3)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O
InChIInChI=1S/C16H22N6O2S/c1-11-3-4-12(22-9-7-16(8-10-22)5-2-6-16)13(14(11)25(17,23)24)15-18-20-21-19-15/h3-4H,2,5-10H2,1H3,(H2,17,23,24)(H,18,19,20,21)
InChIKeyGDDNHORTEKBMIX-UHFFFAOYSA-N
XLogP1.59
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 130230599) is 3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide is Cc1ccc(N2CCC3(CCC3)CC2)c(-c2nn[nH]n2)c1S(N)(=O)=O.
What is the InChIKey of 3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is GDDNHORTEKBMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-11-3-4-12(22-9-7-16(8-10-22)5-2-6-16)13(14(11)25(17,23)24)15-18-20-21-19-15/h3-4H,2,5-10H2,1H3,(H2,17,23,24)(H,18,19,20,21).
What are the key properties of 3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 362.46 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 130230599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).