N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide

C23H26N6O3S — CID 3195561

IUPACN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C23H26N6O3S/c30-23(25-22-7-3-5-17-4-1-2-6-21(17)22)18-12-14-28(15-13-18)33(31,32)20-10-8-19(9-11-20)29-16-24-26-27-29/h1-2,4,6,8-11,16,18,22H,3,5,7,12-15H2,(H,25,30)
InChIKeyQZVIMPHDPLDQEO-UHFFFAOYSA-N
MW466.57 g/mol
LogP2.26
Rot. Bonds5

About N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 3195561) has the molecular formula C23H26N6O3S and a molecular weight of 466.57 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID3195561
Molecular FormulaC23H26N6O3S
Molecular Weight466.57 g/mol
Exact Mass466.18
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1
InChIInChI=1S/C23H26N6O3S/c30-23(25-22-7-3-5-17-4-1-2-6-21(17)22)18-12-14-28(15-13-18)33(31,32)20-10-8-19(9-11-20)29-16-24-26-27-29/h1-2,4,6,8-11,16,18,22H,3,5,7,12-15H2,(H,25,30)
InChIKeyQZVIMPHDPLDQEO-UHFFFAOYSA-N
XLogP2.26
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.57
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 3761947
N-cyclopropyl-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 1455565
1-(4-methylsulfanylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 99131679
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 3214682
1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 43873029
1-(dimethylsulfamoyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 93487580
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 40833937
1-ethylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 17435645
(3S)-1-(benzenesulfonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 35763626
N'-(4-pyrrolidin-1-ylsulfonylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxamide
CID 25414621
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 93302727
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3-(tetrazol-1-yl)benzamide
CID 3215286

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide (CID 3195561) is N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide is O=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is QZVIMPHDPLDQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3S/c30-23(25-22-7-3-5-17-4-1-2-6-21(17)22)18-12-14-28(15-13-18)33(31,32)20-10-8-19(9-11-20)29-16-24-26-27-29/h1-2,4,6,8-11,16,18,22H,3,5,7,12-15H2,(H,25,30).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide?
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 466.57 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3195561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).