N'-(cyclohexylidenemethyl)-3-piperidin-1-ylsulfonylbenzohydrazide

C19H27N3O3S — CID 2692216

IUPACN'-(cyclohexylidenemethyl)-3-piperidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNC=C1CCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H27N3O3S/c23-19(21-20-15-16-8-3-1-4-9-16)17-10-7-11-18(14-17)26(24,25)22-12-5-2-6-13-22/h7,10-11,14-15,20H,1-6,8-9,12-13H2,(H,21,23)
InChIKeyUEYJDRVAGUWUKT-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.94
Rot. Bonds5

About N'-(cyclohexylidenemethyl)-3-piperidin-1-ylsulfonylbenzohydrazide

N'-(cyclohexylidenemethyl)-3-piperidin-1-ylsulfonylbenzohydrazide (PubChem CID 2692216) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is N'-(cyclohexylidenemethyl)-3-piperidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(cyclohexylidenemethyl)-3-piperidin-1-ylsulfonylbenzohydrazide
PubChem CID2692216
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC NameN'-(cyclohexylidenemethyl)-3-piperidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNC=C1CCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C19H27N3O3S/c23-19(21-20-15-16-8-3-1-4-9-16)17-10-7-11-18(14-17)26(24,25)22-12-5-2-6-13-22/h7,10-11,14-15,20H,1-6,8-9,12-13H2,(H,21,23)
InChIKeyUEYJDRVAGUWUKT-UHFFFAOYSA-N
XLogP2.94
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588
N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 7742373
N'-(3-piperidin-1-ylsulfonylbenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 26778436
3-(azepan-1-ylsulfonyl)-N'-[2-(4-chlorophenyl)acetyl]benzohydrazide
CID 34572984
1-methyl-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea
CID 8668824
N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
CID 46523062
3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 35507212
N'-[2-(4-methylphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 29205480
N-[(2S)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 92527690
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
N-(2-aminophenyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119422102
5-(phenoxymethyl)-N'-(3-piperidin-1-ylsulfonylbenzoyl)furan-2-carbohydrazide
CID 46521441

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylidenemethyl)-3-piperidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(cyclohexylidenemethyl)-3-piperidin-1-ylsulfonylbenzohydrazide (CID 2692216) is N'-(cyclohexylidenemethyl)-3-piperidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(cyclohexylidenemethyl)-3-piperidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(cyclohexylidenemethyl)-3-piperidin-1-ylsulfonylbenzohydrazide is O=C(NNC=C1CCCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N'-(cyclohexylidenemethyl)-3-piperidin-1-ylsulfonylbenzohydrazide?
The InChIKey is UEYJDRVAGUWUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c23-19(21-20-15-16-8-3-1-4-9-16)17-10-7-11-18(14-17)26(24,25)22-12-5-2-6-13-22/h7,10-11,14-15,20H,1-6,8-9,12-13H2,(H,21,23).
What are the key properties of N'-(cyclohexylidenemethyl)-3-piperidin-1-ylsulfonylbenzohydrazide?
N'-(cyclohexylidenemethyl)-3-piperidin-1-ylsulfonylbenzohydrazide has a molecular weight of 377.51 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylidenemethyl)-3-piperidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2692216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).