4-chloro-N-methyl-N-[2-oxo-2-[2-(2,4,5-trimethoxybenzoyl)hydrazinyl]ethyl]benzenesulfonamide

C19H22ClN3O7S — CID 24981236

IUPAC4-chloro-N-methyl-N-[2-oxo-2-[2-(2,4,5-trimethoxybenzoyl)hydrazinyl]ethyl]benzenesulfonamide
SMILESCOc1cc(OC)c(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C19H22ClN3O7S/c1-23(31(26,27)13-7-5-12(20)6-8-13)11-18(24)21-22-19(25)14-9-16(29-3)17(30-4)10-15(14)28-2/h5-10H,11H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyXUFKTQPKAYRBCQ-UHFFFAOYSA-N
MW471.92 g/mol
LogP1.45
Rot. Bonds8

About 4-chloro-N-methyl-N-[2-oxo-2-[2-(2,4,5-trimethoxybenzoyl)hydrazinyl]ethyl]benzenesulfonamide

4-chloro-N-methyl-N-[2-oxo-2-[2-(2,4,5-trimethoxybenzoyl)hydrazinyl]ethyl]benzenesulfonamide (PubChem CID 24981236) has the molecular formula C19H22ClN3O7S and a molecular weight of 471.92 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[2-oxo-2-[2-(2,4,5-trimethoxybenzoyl)hydrazinyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-methyl-N-[2-oxo-2-[2-(2,4,5-trimethoxybenzoyl)hydrazinyl]ethyl]benzenesulfonamide
PubChem CID24981236
Molecular FormulaC19H22ClN3O7S
Molecular Weight471.92 g/mol
Exact Mass471.09
IUPAC Name4-chloro-N-methyl-N-[2-oxo-2-[2-(2,4,5-trimethoxybenzoyl)hydrazinyl]ethyl]benzenesulfonamide
SMILESCOc1cc(OC)c(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C19H22ClN3O7S/c1-23(31(26,27)13-7-5-12(20)6-8-13)11-18(24)21-22-19(25)14-9-16(29-3)17(30-4)10-15(14)28-2/h5-10H,11H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyXUFKTQPKAYRBCQ-UHFFFAOYSA-N
XLogP1.45
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.92
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[2-oxo-2-[2-(2,4,5-trimethoxybenzoyl)hydrazinyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-methyl-N-[2-oxo-2-[2-(2,4,5-trimethoxybenzoyl)hydrazinyl]ethyl]benzenesulfonamide (CID 24981236) is 4-chloro-N-methyl-N-[2-oxo-2-[2-(2,4,5-trimethoxybenzoyl)hydrazinyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-methyl-N-[2-oxo-2-[2-(2,4,5-trimethoxybenzoyl)hydrazinyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-methyl-N-[2-oxo-2-[2-(2,4,5-trimethoxybenzoyl)hydrazinyl]ethyl]benzenesulfonamide is COc1cc(OC)c(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 4-chloro-N-methyl-N-[2-oxo-2-[2-(2,4,5-trimethoxybenzoyl)hydrazinyl]ethyl]benzenesulfonamide?
The InChIKey is XUFKTQPKAYRBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O7S/c1-23(31(26,27)13-7-5-12(20)6-8-13)11-18(24)21-22-19(25)14-9-16(29-3)17(30-4)10-15(14)28-2/h5-10H,11H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of 4-chloro-N-methyl-N-[2-oxo-2-[2-(2,4,5-trimethoxybenzoyl)hydrazinyl]ethyl]benzenesulfonamide?
4-chloro-N-methyl-N-[2-oxo-2-[2-(2,4,5-trimethoxybenzoyl)hydrazinyl]ethyl]benzenesulfonamide has a molecular weight of 471.92 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-[2-oxo-2-[2-(2,4,5-trimethoxybenzoyl)hydrazinyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 24981236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).