N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(tetrazol-1-yl)benzamide

C20H22N6O4S — CID 24668840

IUPACN-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3-n3cnnn3)CC2)cc1
InChIInChI=1S/C20H22N6O4S/c1-30-16-6-8-17(9-7-16)31(28,29)25-12-10-15(11-13-25)22-20(27)18-4-2-3-5-19(18)26-14-21-23-24-26/h2-9,14-15H,10-13H2,1H3,(H,22,27)
InChIKeyKQGAFLMBGZJOEV-UHFFFAOYSA-N
MW442.50 g/mol
LogP1.25
Rot. Bonds6

About N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(tetrazol-1-yl)benzamide

N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(tetrazol-1-yl)benzamide (PubChem CID 24668840) has the molecular formula C20H22N6O4S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(tetrazol-1-yl)benzamide
PubChem CID24668840
Molecular FormulaC20H22N6O4S
Molecular Weight442.50 g/mol
Exact Mass442.14
IUPAC NameN-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(tetrazol-1-yl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3-n3cnnn3)CC2)cc1
InChIInChI=1S/C20H22N6O4S/c1-30-16-6-8-17(9-7-16)31(28,29)25-12-10-15(11-13-25)22-20(27)18-4-2-3-5-19(18)26-14-21-23-24-26/h2-9,14-15H,10-13H2,1H3,(H,22,27)
InChIKeyKQGAFLMBGZJOEV-UHFFFAOYSA-N
XLogP1.25
TPSA119.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-sulfanylbenzamide
CID 108561601
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylsulfonylbenzamide
CID 41171707
1-(2-fluorophenyl)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2,5-dimethylpyrrole-3-carboxamide
CID 24655315
4-(4-methoxyphenoxy)-1-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperidine
CID 23610235
2-methoxy-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108562538
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 24611994
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[4-(tetrazol-1-yl)phenyl]methanone
CID 28934975
N-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 1455565
N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218791
N-(2-methylcyclohexyl)-2-(tetrazol-1-yl)benzamide
CID 78789651
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 24668842
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 41171859

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(tetrazol-1-yl)benzamide (CID 24668840) is N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(tetrazol-1-yl)benzamide is COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3-n3cnnn3)CC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is KQGAFLMBGZJOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4S/c1-30-16-6-8-17(9-7-16)31(28,29)25-12-10-15(11-13-25)22-20(27)18-4-2-3-5-19(18)26-14-21-23-24-26/h2-9,14-15H,10-13H2,1H3,(H,22,27).
What are the key properties of N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(tetrazol-1-yl)benzamide?
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 442.50 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 24668840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).