N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide

C19H20ClN3O4S — CID 55511757

IUPACN'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C19H20ClN3O4S/c20-16-8-10-17(11-9-16)28(26,27)23-12-4-7-15(13-23)19(25)22-21-18(24)14-5-2-1-3-6-14/h1-3,5-6,8-11,15H,4,7,12-13H2,(H,21,24)(H,22,25)
InChIKeyGEUNONJVFVFUDP-UHFFFAOYSA-N
MW421.91 g/mol
LogP2.20
Rot. Bonds4

About N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide

N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide (PubChem CID 55511757) has the molecular formula C19H20ClN3O4S and a molecular weight of 421.91 g/mol. Its IUPAC name is N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide
PubChem CID55511757
Molecular FormulaC19H20ClN3O4S
Molecular Weight421.91 g/mol
Exact Mass421.09
IUPAC NameN'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide
SMILESO=C(NNC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1
InChIInChI=1S/C19H20ClN3O4S/c20-16-8-10-17(11-9-16)28(26,27)23-12-4-7-15(13-23)19(25)22-21-18(24)14-5-2-1-3-6-14/h1-3,5-6,8-11,15H,4,7,12-13H2,(H,21,24)(H,22,25)
InChIKeyGEUNONJVFVFUDP-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
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'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 1472653
(3S)-N'-(4-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473922
1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide
CID 3192879
1-(benzenesulfonyl)-N-(4-chlorophenyl)piperidine-3-carboxamide
CID 16862471
1-(4-chlorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 47140984
N-(4-chlorophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16862472
N'-(3-methylbenzoyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 17476145
(3R)-1-(4-chlorophenyl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-3-carboxamide
CID 100674955
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673677
N-(2-acetylphenyl)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 42936626
[4-(benzenesulfonyl)piperazin-1-yl]-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 100675172
1-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)piperidine-3-carboxamide
CID 16862444

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide?
The IUPAC name of N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide (CID 55511757) is N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide.
What is the SMILES notation for N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide?
The canonical SMILES for N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide is O=C(NNC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)c1ccccc1.
What is the InChIKey of N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide?
The InChIKey is GEUNONJVFVFUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4S/c20-16-8-10-17(11-9-16)28(26,27)23-12-4-7-15(13-23)19(25)22-21-18(24)14-5-2-1-3-6-14/h1-3,5-6,8-11,15H,4,7,12-13H2,(H,21,24)(H,22,25).
What are the key properties of N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide?
N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide has a molecular weight of 421.91 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide is sourced from PubChem (CID 55511757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).