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

C18H22N8O2S — CID 118266264

IUPAC3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNc1ccc(-c2ccc(CC3CCNCC3)c(S(N)(=O)=O)c2-c2nn[nH]n2)cn1
InChIInChI=1S/C18H22N8O2S/c19-15-4-2-13(10-22-15)14-3-1-12(9-11-5-7-21-8-6-11)17(29(20,27)28)16(14)18-23-25-26-24-18/h1-4,10-11,21H,5-9H2,(H2,19,22)(H2,20,27,28)(H,23,24,25,26)
InChIKeyASWFMIGVWSBZCA-UHFFFAOYSA-N
MW414.50 g/mol
LogP0.70
Rot. Bonds5

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

3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118266264) has the molecular formula C18H22N8O2S and a molecular weight of 414.50 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118266264
Molecular FormulaC18H22N8O2S
Molecular Weight414.50 g/mol
Exact Mass414.16
IUPAC Name3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNc1ccc(-c2ccc(CC3CCNCC3)c(S(N)(=O)=O)c2-c2nn[nH]n2)cn1
InChIInChI=1S/C18H22N8O2S/c19-15-4-2-13(10-22-15)14-3-1-12(9-11-5-7-21-8-6-11)17(29(20,27)28)16(14)18-23-25-26-24-18/h1-4,10-11,21H,5-9H2,(H2,19,22)(H2,20,27,28)(H,23,24,25,26)
InChIKeyASWFMIGVWSBZCA-UHFFFAOYSA-N
XLogP0.70
TPSA165.56 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

6-[(4-aminocyclohexyl)methyl]-3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266265
bis(3-(6-amino-3-pyridinyl)-6-[(4-ethylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);bis(3-(6-amino-3-pyridinyl)-6-[2-(4-methylcyclohexyl)ethyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 158048003
3-(6-amino-3-pyridinyl)-6-(2-cyclohexylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122694450
3-[4-[1-(2-hydroxyethyl)azetidin-3-yl]phenyl]-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118256966
3-(6-amino-3-pyridinyl)-6-piperazin-1-ylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135311532
3-[4-(azetidin-3-yl)phenyl]-6-(cyclohexylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 144893629
4-(6-amino-3-pyridinyl)-1-N-[(3-aminopyrrolidin-3-yl)methyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 135310764
6-[(3-fluoropyrrolidin-3-yl)methyl]-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118265977
S-[3-(6-amino-3-pyridinyl)-6-methylsulfinyl-2-(2H-tetrazol-5-yl)phenyl]thiohydroxylamine
CID 145214498
3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266421
6-[2-[4-(aminomethyl)cyclohexyl]ethyl]-3-[4-(azetidin-3-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 130236069
6-(2-aminoethylsulfinyl)-3-(6-amino-5-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 145220062

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118266264) is 3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is Nc1ccc(-c2ccc(CC3CCNCC3)c(S(N)(=O)=O)c2-c2nn[nH]n2)cn1.
What is the InChIKey of 3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is ASWFMIGVWSBZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O2S/c19-15-4-2-13(10-22-15)14-3-1-12(9-11-5-7-21-8-6-11)17(29(20,27)28)16(14)18-23-25-26-24-18/h1-4,10-11,21H,5-9H2,(H2,19,22)(H2,20,27,28)(H,23,24,25,26).
What are the key properties of 3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 414.50 g/mol, XLogP of 0.70, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118266264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).