N'-[(4-chlorobenzoyl)amino]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzohydrazide

C21H25ClN4O4S — CID 153352350

IUPACN'-[(4-chlorobenzoyl)amino]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzohydrazide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NNNC(=O)c3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C21H25ClN4O4S/c1-14-11-15(2)13-26(12-14)31(29,30)19-9-5-17(6-10-19)21(28)24-25-23-20(27)16-3-7-18(22)8-4-16/h3-10,14-15,25H,11-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyAHWDGZCGBBTOKE-UHFFFAOYSA-N
MW464.98 g/mol
LogP2.59
Rot. Bonds6

About N'-[(4-chlorobenzoyl)amino]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzohydrazide

N'-[(4-chlorobenzoyl)amino]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzohydrazide (PubChem CID 153352350) has the molecular formula C21H25ClN4O4S and a molecular weight of 464.98 g/mol. Its IUPAC name is N'-[(4-chlorobenzoyl)amino]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[(4-chlorobenzoyl)amino]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzohydrazide
PubChem CID153352350
Molecular FormulaC21H25ClN4O4S
Molecular Weight464.98 g/mol
Exact Mass464.13
IUPAC NameN'-[(4-chlorobenzoyl)amino]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzohydrazide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NNNC(=O)c3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C21H25ClN4O4S/c1-14-11-15(2)13-26(12-14)31(29,30)19-9-5-17(6-10-19)21(28)24-25-23-20(27)16-3-7-18(22)8-4-16/h3-10,14-15,25H,11-13H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyAHWDGZCGBBTOKE-UHFFFAOYSA-N
XLogP2.59
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.98
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide
CID 18271490
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl chloride
CID 7109677
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N',N'-dimethylbenzohydrazide
CID 9163818
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate
CID 2049561
N'-(6-chloro-1,3-benzothiazol-2-yl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzohydrazide
CID 41043749
N'-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]thiophene-2-carbohydrazide
CID 9479284
1-tert-butyl-3-[[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]thiourea
CID 9425553
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 4246673
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-pentan-3-ylbenzamide
CID 2623059
[3-[[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl]amino]-2,2-dimethylpropyl]-dimethylazanium
CID 9084052
N-(2-chloro-4-methylphenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 18225328
N-[(1S)-1-cyclopropylethyl]-4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 9478716

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorobenzoyl)amino]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzohydrazide?
The IUPAC name of N'-[(4-chlorobenzoyl)amino]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzohydrazide (CID 153352350) is N'-[(4-chlorobenzoyl)amino]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzohydrazide.
What is the SMILES notation for N'-[(4-chlorobenzoyl)amino]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzohydrazide?
The canonical SMILES for N'-[(4-chlorobenzoyl)amino]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzohydrazide is CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NNNC(=O)c3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of N'-[(4-chlorobenzoyl)amino]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzohydrazide?
The InChIKey is AHWDGZCGBBTOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O4S/c1-14-11-15(2)13-26(12-14)31(29,30)19-9-5-17(6-10-19)21(28)24-25-23-20(27)16-3-7-18(22)8-4-16/h3-10,14-15,25H,11-13H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N'-[(4-chlorobenzoyl)amino]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzohydrazide?
N'-[(4-chlorobenzoyl)amino]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzohydrazide has a molecular weight of 464.98 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorobenzoyl)amino]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzohydrazide is sourced from PubChem (CID 153352350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).