N-(4-acetamidophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide

C21H23N7O4S — CID 3215998

IUPACN-(4-acetamidophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)cc1
InChIInChI=1S/C21H23N7O4S/c1-15(29)23-17-4-6-18(7-5-17)24-21(30)16-3-2-12-27(13-16)33(31,32)20-10-8-19(9-11-20)28-14-22-25-26-28/h4-11,14,16H,2-3,12-13H2,1H3,(H,23,29)(H,24,30)
InChIKeyINDRHGAJCXZIIY-UHFFFAOYSA-N
MW469.53 g/mol
LogP1.66
Rot. Bonds6

About N-(4-acetamidophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide

N-(4-acetamidophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide (PubChem CID 3215998) has the molecular formula C21H23N7O4S and a molecular weight of 469.53 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
PubChem CID3215998
Molecular FormulaC21H23N7O4S
Molecular Weight469.53 g/mol
Exact Mass469.15
IUPAC NameN-(4-acetamidophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)cc1
InChIInChI=1S/C21H23N7O4S/c1-15(29)23-17-4-6-18(7-5-17)24-21(30)16-3-2-12-27(13-16)33(31,32)20-10-8-19(9-11-20)28-14-22-25-26-28/h4-11,14,16H,2-3,12-13H2,1H3,(H,23,29)(H,24,30)
InChIKeyINDRHGAJCXZIIY-UHFFFAOYSA-N
XLogP1.66
TPSA139.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.53
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-3-carboxylic acid allylamide
CID 3215997
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-3-carboxylic acid cyclopropylmethyl-amide
CID 644409
(4-Phenyl-piperazin-1-yl)-[1-(4-tetrazol-1-yl-benzenesulfonyl)-piperidin-4-yl]-methanone
CID 646218
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-3-carboxylic acid isobutyl-amide
CID 648370
1-benzylsulfonyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 654530
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-4-carboxylic acid (3-methyl-butyl)-amide
CID 1452407
N-[4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 1455267
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-4-carboxylic acid (2-methyl-cyclohexyl)-amide
CID 3213006
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-3-carboxylic acid benzylamide
CID 3214815
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-3-carboxylic acid (2-fluoro-phenyl)-amide
CID 3214830
1-(4-Tetrazol-1-yl-benzenesulfonyl)-piperidine-3-carboxylic acid [1-(4-fluoro-phenyl)-ethyl]-amide
CID 3216013
N-[4-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 4849410

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide (CID 3215998) is N-(4-acetamidophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The InChIKey is INDRHGAJCXZIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O4S/c1-15(29)23-17-4-6-18(7-5-17)24-21(30)16-3-2-12-27(13-16)33(31,32)20-10-8-19(9-11-20)28-14-22-25-26-28/h4-11,14,16H,2-3,12-13H2,1H3,(H,23,29)(H,24,30).
What are the key properties of N-(4-acetamidophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
N-(4-acetamidophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide has a molecular weight of 469.53 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-[4-(tetrazol-1-yl)phenyl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 3215998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).