N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide

C19H22ClN3O4S — CID 35021070

IUPACN-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C19H22ClN3O4S/c1-12-10-13(2)18(14(3)11-12)28(26,27)21-9-8-17(24)22-23-19(25)15-4-6-16(20)7-5-15/h4-7,10-11,21H,8-9H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyAJCGTTJGFYSXAZ-UHFFFAOYSA-N
MW423.92 g/mol
LogP2.39
Rot. Bonds6

About N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide

N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 35021070) has the molecular formula C19H22ClN3O4S and a molecular weight of 423.92 g/mol. Its IUPAC name is N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID35021070
Molecular FormulaC19H22ClN3O4S
Molecular Weight423.92 g/mol
Exact Mass423.10
IUPAC NameN-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C19H22ClN3O4S/c1-12-10-13(2)18(14(3)11-12)28(26,27)21-9-8-17(24)22-23-19(25)15-4-6-16(20)7-5-15/h4-7,10-11,21H,8-9H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyAJCGTTJGFYSXAZ-UHFFFAOYSA-N
XLogP2.39
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 52.39
H-Bond Donors ≤ 53
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-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26577512
N-[3-[2-(2,5-dichlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,5-dimethylbenzenesulfonamide
CID 24634429
N-(5-amino-2-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 120569314
N-(2-fluorophenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26584303
N-[3-[2-(4-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 2090650
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
(2R)-2-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoylamino]propanoic acid
CID 119370391
N-(3-methylbutyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 35515241
N-(2-hydroxy-4-methylphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 51166424
N-(3-chloro-4-methoxyphenyl)-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 26822921
3-[(4-chlorophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 17225585
4-chloro-N-[3-[2-[2-(3,5-dimethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 9470850

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide (CID 35021070) is N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is AJCGTTJGFYSXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4S/c1-12-10-13(2)18(14(3)11-12)28(26,27)21-9-8-17(24)22-23-19(25)15-4-6-16(20)7-5-15/h4-7,10-11,21H,8-9H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide?
N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 423.92 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-chlorobenzoyl)hydrazinyl]-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 35021070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).