N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide

C15H17N3O3S — CID 50889911

IUPACN-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(CC(=O)NN)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H17N3O3S/c1-12-7-9-13(10-8-12)18(11-15(19)17-16)22(20,21)14-5-3-2-4-6-14/h2-10H,11,16H2,1H3,(H,17,19)
InChIKeyCQPTXXPTLTVEPZ-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.18
Rot. Bonds5

About N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide

N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 50889911) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide
PubChem CID50889911
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(CC(=O)NN)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C15H17N3O3S/c1-12-7-9-13(10-8-12)18(11-15(19)17-16)22(20,21)14-5-3-2-4-6-14/h2-10H,11,16H2,1H3,(H,17,19)
InChIKeyCQPTXXPTLTVEPZ-UHFFFAOYSA-N
XLogP1.18
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 91671580
2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide
CID 2248872
2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2,4-dimethylpentan-3-yl)acetamide
CID 2251303
N-(2-hydrazinyl-2-oxoethyl)-N-(4-nitrophenyl)benzenesulfonamide
CID 91671587
N-(2-fluorophenyl)-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
CID 50890158
2-[N-(benzenesulfonyl)anilino]-N-[(S)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30303573
N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 50889864
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(4-chlorophenyl)methyl]acetamide
CID 1364923
2-(N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 51142121
N-benzhydryl-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 44777661
2-[N-(benzenesulfonyl)anilino]-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 28572138
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135515655

Frequently Asked Questions

What is the IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide (CID 50889911) is N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(N(CC(=O)NN)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is CQPTXXPTLTVEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-12-7-9-13(10-8-12)18(11-15(19)17-16)22(20,21)14-5-3-2-4-6-14/h2-10H,11,16H2,1H3,(H,17,19).
What are the key properties of N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide?
N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 319.39 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydrazinyl-2-oxoethyl)-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 50889911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).