N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide

C21H24FN3O4S — CID 18271490

IUPACN'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccc(F)cc3)cc2)C1
InChIInChI=1S/C21H24FN3O4S/c1-14-11-15(2)13-25(12-14)30(28,29)19-9-5-17(6-10-19)21(27)24-23-20(26)16-3-7-18(22)8-4-16/h3-10,14-15H,11-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyDZIXEAZXSFQUFD-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.57
Rot. Bonds4

About N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide

N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide (PubChem CID 18271490) has the molecular formula C21H24FN3O4S and a molecular weight of 433.51 g/mol. Its IUPAC name is N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide
PubChem CID18271490
Molecular FormulaC21H24FN3O4S
Molecular Weight433.51 g/mol
Exact Mass433.15
IUPAC NameN'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide
SMILESCC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccc(F)cc3)cc2)C1
InChIInChI=1S/C21H24FN3O4S/c1-14-11-15(2)13-25(12-14)30(28,29)19-9-5-17(6-10-19)21(27)24-23-20(26)16-3-7-18(22)8-4-16/h3-10,14-15H,11-13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyDZIXEAZXSFQUFD-UHFFFAOYSA-N
XLogP2.57
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.57
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

4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-fluorophenyl)benzamide
CID 2634767
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 4113027
(3R,5R)-1-(4-fluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 755984
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(4-fluorophenyl)methyl]benzamide
CID 7925561
N'-[(4-chlorobenzoyl)amino]-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzohydrazide
CID 153352350
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961547
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961551
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(5-fluoro-2-methylphenyl)benzamide
CID 7961549
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-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N',N'-dimethylbenzohydrazide
CID 9163818
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoyl chloride
CID 7109677

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide?
The IUPAC name of N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide (CID 18271490) is N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide.
What is the SMILES notation for N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide?
The canonical SMILES for N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide is CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)NNC(=O)c3ccc(F)cc3)cc2)C1.
What is the InChIKey of N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide?
The InChIKey is DZIXEAZXSFQUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4S/c1-14-11-15(2)13-25(12-14)30(28,29)19-9-5-17(6-10-19)21(27)24-23-20(26)16-3-7-18(22)8-4-16/h3-10,14-15H,11-13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide?
N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide has a molecular weight of 433.51 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]-4-fluorobenzohydrazide is sourced from PubChem (CID 18271490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).