4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide

C22H26N6O3S — CID 55677091

IUPAC4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
SMILESCc1nnnn1-c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)c1
InChIInChI=1S/C22H26N6O3S/c1-15-11-16(2)14-27(13-15)32(30,31)21-9-7-18(8-10-21)22(29)23-19-5-4-6-20(12-19)28-17(3)24-25-26-28/h4-10,12,15-16H,11,13-14H2,1-3H3,(H,23,29)
InChIKeyNTSBXOCJUZNVHC-UHFFFAOYSA-N
MW454.56 g/mol
LogP2.89
Rot. Bonds5

About 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide

4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide (PubChem CID 55677091) has the molecular formula C22H26N6O3S and a molecular weight of 454.56 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
PubChem CID55677091
Molecular FormulaC22H26N6O3S
Molecular Weight454.56 g/mol
Exact Mass454.18
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
SMILESCc1nnnn1-c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)c1
InChIInChI=1S/C22H26N6O3S/c1-15-11-16(2)14-27(13-15)32(30,31)21-9-7-18(8-10-21)22(29)23-19-5-4-6-20(12-19)28-17(3)24-25-26-28/h4-10,12,15-16H,11,13-14H2,1-3H3,(H,23,29)
InChIKeyNTSBXOCJUZNVHC-UHFFFAOYSA-N
XLogP2.89
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylphenyl)benzamide
CID 8713920
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylphenyl)benzamide
CID 8713922
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 55676850
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300374
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(3-methylsulfanylphenyl)benzamide
CID 8761875
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzamide
CID 55610264
3-[(2-methylcyclopropanecarbonyl)amino]-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 136576817
4-(benzenesulfonylmethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 55762438
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55811955
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-pyrazol-1-ylphenyl)benzamide
CID 55766235
2-methyl-5-methylsulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide
CID 86983152

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide (CID 55677091) is 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide is Cc1nnnn1-c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)c1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide?
The InChIKey is NTSBXOCJUZNVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3S/c1-15-11-16(2)14-27(13-15)32(30,31)21-9-7-18(8-10-21)22(29)23-19-5-4-6-20(12-19)28-17(3)24-25-26-28/h4-10,12,15-16H,11,13-14H2,1-3H3,(H,23,29).
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide?
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide has a molecular weight of 454.56 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzamide is sourced from PubChem (CID 55677091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).