N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide

C19H20ClN3O4S — CID 2567588

IUPACN'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O4S/c20-16-9-7-14(8-10-16)18(24)21-22-19(25)15-5-4-6-17(13-15)28(26,27)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12H2,(H,21,24)(H,22,25)
InChIKeySFRXNWAHWINKRR-UHFFFAOYSA-N
MW421.91 g/mol
LogP2.59
Rot. Bonds4

About N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide

N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide (PubChem CID 2567588) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
PubChem CID2567588
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC NameN'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClN3O4S/c20-16-9-7-14(8-10-16)18(24)21-22-19(25)15-5-4-6-17(13-15)28(26,27)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12H2,(H,21,24)(H,22,25)
InChIKeySFRXNWAHWINKRR-UHFFFAOYSA-N
XLogP2.59
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.91
LogP ≤ 52.59
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'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 7742373
3-(azepan-1-ylsulfonyl)-N'-[2-(4-chlorophenyl)acetyl]benzohydrazide
CID 34572984
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 26654250
N'-(4-ethoxybenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 27620051
3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 35507212
1-methyl-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea
CID 8668824
1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide
CID 3192879
N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
CID 46523062
N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 118695530
N-[5-chloro-2-(hydroxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 118695311
N'-(cyclohexylidenemethyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2692216

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide (CID 2567588) is N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide is O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide?
The InChIKey is SFRXNWAHWINKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c20-16-9-7-14(8-10-16)18(24)21-22-19(25)15-5-4-6-17(13-15)28(26,27)23-11-2-1-3-12-23/h4-10,13H,1-3,11-12H2,(H,21,24)(H,22,25).
What are the key properties of N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide?
N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide has a molecular weight of 421.91 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2567588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).