4-methyl-3-piperidin-1-ylsulfonyl-N'-(2,4,6-trichlorophenyl)benzohydrazide

C19H20Cl3N3O3S — CID 26251360

IUPAC4-methyl-3-piperidin-1-ylsulfonyl-N'-(2,4,6-trichlorophenyl)benzohydrazide
SMILESCc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H20Cl3N3O3S/c1-12-5-6-13(9-17(12)29(27,28)25-7-3-2-4-8-25)19(26)24-23-18-15(21)10-14(20)11-16(18)22/h5-6,9-11,23H,2-4,7-8H2,1H3,(H,24,26)
InChIKeyIDKNEPZKIGVWBY-UHFFFAOYSA-N
MW476.81 g/mol
LogP4.89
Rot. Bonds5

About 4-methyl-3-piperidin-1-ylsulfonyl-N'-(2,4,6-trichlorophenyl)benzohydrazide

4-methyl-3-piperidin-1-ylsulfonyl-N'-(2,4,6-trichlorophenyl)benzohydrazide (PubChem CID 26251360) has the molecular formula C19H20Cl3N3O3S and a molecular weight of 476.81 g/mol. Its IUPAC name is 4-methyl-3-piperidin-1-ylsulfonyl-N'-(2,4,6-trichlorophenyl)benzohydrazide.

Molecular Properties

Compound Name4-methyl-3-piperidin-1-ylsulfonyl-N'-(2,4,6-trichlorophenyl)benzohydrazide
PubChem CID26251360
Molecular FormulaC19H20Cl3N3O3S
Molecular Weight476.81 g/mol
Exact Mass475.03
IUPAC Name4-methyl-3-piperidin-1-ylsulfonyl-N'-(2,4,6-trichlorophenyl)benzohydrazide
SMILESCc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H20Cl3N3O3S/c1-12-5-6-13(9-17(12)29(27,28)25-7-3-2-4-8-25)19(26)24-23-18-15(21)10-14(20)11-16(18)22/h5-6,9-11,23H,2-4,7-8H2,1H3,(H,24,26)
InChIKeyIDKNEPZKIGVWBY-UHFFFAOYSA-N
XLogP4.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.81
LogP ≤ 54.89
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-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2666218
N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
N-(4-chloro-2-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 9003684
3-(azepan-1-ylsulfonyl)-N-cycloheptyl-4-methylbenzamide
CID 9003730
N-cyclohexyl-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068516
N-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1102150
2-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]acetate
CID 4104639
4-methyl-N-[(2R)-3-methylbutan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 8923305
4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2057274
N-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1217132
4-chloro-N'-phenyl-3-piperidin-1-ylsulfonylbenzohydrazide
CID 78774797
N-ethoxy-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 18169006

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-piperidin-1-ylsulfonyl-N'-(2,4,6-trichlorophenyl)benzohydrazide?
The IUPAC name of 4-methyl-3-piperidin-1-ylsulfonyl-N'-(2,4,6-trichlorophenyl)benzohydrazide (CID 26251360) is 4-methyl-3-piperidin-1-ylsulfonyl-N'-(2,4,6-trichlorophenyl)benzohydrazide.
What is the SMILES notation for 4-methyl-3-piperidin-1-ylsulfonyl-N'-(2,4,6-trichlorophenyl)benzohydrazide?
The canonical SMILES for 4-methyl-3-piperidin-1-ylsulfonyl-N'-(2,4,6-trichlorophenyl)benzohydrazide is Cc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-3-piperidin-1-ylsulfonyl-N'-(2,4,6-trichlorophenyl)benzohydrazide?
The InChIKey is IDKNEPZKIGVWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl3N3O3S/c1-12-5-6-13(9-17(12)29(27,28)25-7-3-2-4-8-25)19(26)24-23-18-15(21)10-14(20)11-16(18)22/h5-6,9-11,23H,2-4,7-8H2,1H3,(H,24,26).
What are the key properties of 4-methyl-3-piperidin-1-ylsulfonyl-N'-(2,4,6-trichlorophenyl)benzohydrazide?
4-methyl-3-piperidin-1-ylsulfonyl-N'-(2,4,6-trichlorophenyl)benzohydrazide has a molecular weight of 476.81 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-piperidin-1-ylsulfonyl-N'-(2,4,6-trichlorophenyl)benzohydrazide is sourced from PubChem (CID 26251360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).