N'-(2-hydroxybenzoyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbohydrazide

C20H22N4O7S — CID 27693390

IUPACN'-(2-hydroxybenzoyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbohydrazide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccccc2O)CC1
InChIInChI=1S/C20H22N4O7S/c1-13-6-7-15(24(28)29)12-18(13)32(30,31)23-10-8-14(9-11-23)19(26)21-22-20(27)16-4-2-3-5-17(16)25/h2-7,12,14,25H,8-11H2,1H3,(H,21,26)(H,22,27)
InChIKeyNRBUMXBNGQGXRA-UHFFFAOYSA-N
MW462.48 g/mol
LogP1.47
Rot. Bonds5

About N'-(2-hydroxybenzoyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbohydrazide

N'-(2-hydroxybenzoyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbohydrazide (PubChem CID 27693390) has the molecular formula C20H22N4O7S and a molecular weight of 462.48 g/mol. Its IUPAC name is N'-(2-hydroxybenzoyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-hydroxybenzoyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbohydrazide
PubChem CID27693390
Molecular FormulaC20H22N4O7S
Molecular Weight462.48 g/mol
Exact Mass462.12
IUPAC NameN'-(2-hydroxybenzoyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbohydrazide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccccc2O)CC1
InChIInChI=1S/C20H22N4O7S/c1-13-6-7-15(24(28)29)12-18(13)32(30,31)23-10-8-14(9-11-23)19(26)21-22-20(27)16-4-2-3-5-17(16)25/h2-7,12,14,25H,8-11H2,1H3,(H,21,26)(H,22,27)
InChIKeyNRBUMXBNGQGXRA-UHFFFAOYSA-N
XLogP1.47
TPSA158.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-methyl-5-nitrophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 26823166
1-(2-methyl-5-nitrophenyl)sulfonyl-N'-[2-(trifluoromethyl)phenyl]piperidine-4-carbohydrazide
CID 55343306
N-cyclohexyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 26912952
N-butyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 26590877
1-(2-methyl-5-nitrophenyl)sulfonyl-N-(2-phenylpropyl)piperidine-4-carboxamide
CID 42907739
N-[(2S)-1-aminopropan-2-yl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 120507992
N-hexyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 32645637
N-(3-ethylphenyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 26795902
1-(2-methyl-5-nitrophenyl)sulfonyl-N-(2-thiophen-2-ylphenyl)piperidine-4-carboxamide
CID 24568033
1-(2-methyl-5-nitrophenyl)sulfonyl-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 55577483
N-methyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidin-4-amine
CID 119979756
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 98700907

Frequently Asked Questions

What is the IUPAC name of N'-(2-hydroxybenzoyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbohydrazide?
The IUPAC name of N'-(2-hydroxybenzoyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbohydrazide (CID 27693390) is N'-(2-hydroxybenzoyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbohydrazide.
What is the SMILES notation for N'-(2-hydroxybenzoyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbohydrazide?
The canonical SMILES for N'-(2-hydroxybenzoyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbohydrazide is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccccc2O)CC1.
What is the InChIKey of N'-(2-hydroxybenzoyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbohydrazide?
The InChIKey is NRBUMXBNGQGXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O7S/c1-13-6-7-15(24(28)29)12-18(13)32(30,31)23-10-8-14(9-11-23)19(26)21-22-20(27)16-4-2-3-5-17(16)25/h2-7,12,14,25H,8-11H2,1H3,(H,21,26)(H,22,27).
What are the key properties of N'-(2-hydroxybenzoyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbohydrazide?
N'-(2-hydroxybenzoyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbohydrazide has a molecular weight of 462.48 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-hydroxybenzoyl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carbohydrazide is sourced from PubChem (CID 27693390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).