6-(piperidin-4-ylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C24H31N7O2S — CID 118257181

IUPAC6-(piperidin-4-ylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(CC2CCNCC2)ccc(-c2ccc(C3CCNCC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C24H31N7O2S/c25-34(32,33)23-20(15-16-7-11-26-12-8-16)5-6-21(22(23)24-28-30-31-29-24)19-3-1-17(2-4-19)18-9-13-27-14-10-18/h1-6,16,18,26-27H,7-15H2,(H2,25,32,33)(H,28,29,30,31)
InChIKeyLHOHTNKBXFSQBC-UHFFFAOYSA-N
MW481.63 g/mol
LogP2.19
Rot. Bonds6

About 6-(piperidin-4-ylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

6-(piperidin-4-ylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118257181) has the molecular formula C24H31N7O2S and a molecular weight of 481.63 g/mol. Its IUPAC name is 6-(piperidin-4-ylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-(piperidin-4-ylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118257181
Molecular FormulaC24H31N7O2S
Molecular Weight481.63 g/mol
Exact Mass481.23
IUPAC Name6-(piperidin-4-ylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1c(CC2CCNCC2)ccc(-c2ccc(C3CCNCC3)cc2)c1-c1nn[nH]n1
InChIInChI=1S/C24H31N7O2S/c25-34(32,33)23-20(15-16-7-11-26-12-8-16)5-6-21(22(23)24-28-30-31-29-24)19-3-1-17(2-4-19)18-9-13-27-14-10-18/h1-6,16,18,26-27H,7-15H2,(H2,25,32,33)(H,28,29,30,31)
InChIKeyLHOHTNKBXFSQBC-UHFFFAOYSA-N
XLogP2.19
TPSA138.68 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.63
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(piperidin-4-ylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 6-(piperidin-4-ylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118257181) is 6-(piperidin-4-ylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 6-(piperidin-4-ylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 6-(piperidin-4-ylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1c(CC2CCNCC2)ccc(-c2ccc(C3CCNCC3)cc2)c1-c1nn[nH]n1.
What is the InChIKey of 6-(piperidin-4-ylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is LHOHTNKBXFSQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2S/c25-34(32,33)23-20(15-16-7-11-26-12-8-16)5-6-21(22(23)24-28-30-31-29-24)19-3-1-17(2-4-19)18-9-13-27-14-10-18/h1-6,16,18,26-27H,7-15H2,(H2,25,32,33)(H,28,29,30,31).
What are the key properties of 6-(piperidin-4-ylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
6-(piperidin-4-ylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 481.63 g/mol, XLogP of 2.19, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidin-4-ylmethyl)-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118257181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).