N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide

C16H19N3O3S — CID 846482

IUPACN-benzyl-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NN)Cc2ccccc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-13-7-9-15(10-8-13)23(21,22)19(12-16(20)18-17)11-14-5-3-2-4-6-14/h2-10H,11-12,17H2,1H3,(H,18,20)
InChIKeyGONFTEHQHRSFKT-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.18
Rot. Bonds6

About N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide

N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide (PubChem CID 846482) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
PubChem CID846482
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-benzyl-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NN)Cc2ccccc2)cc1
InChIInChI=1S/C16H19N3O3S/c1-13-7-9-15(10-8-13)23(21,22)19(12-16(20)18-17)11-14-5-3-2-4-6-14/h2-10H,11-12,17H2,1H3,(H,18,20)
InChIKeyGONFTEHQHRSFKT-UHFFFAOYSA-N
XLogP1.18
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
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

2-[benzenesulfonyl(benzyl)amino]-N-tert-butylacetamide
CID 2252317
3-[Benzenesulfonyl(benzyl)amino]propanamide
CID 808580
2-[benzenesulfonyl(benzyl)amino]-N-methylacetamide
CID 795181
1-(phenylmethyl)-N'-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarbohydrazide
CID 1481471
N-[2-(1-cyclohexen-1-yl)ethyl]-2-{(2-fluorobenzyl)[(4-methylphenyl)sulfonyl]amino}acetamide
CID 1815035
N~2~-(2-fluorobenzyl)-N~2~-[(4-methylphenyl)sulfonyl]-N~1~-propylglycinamide
CID 2188946
2-[benzenesulfonyl-(phenylmethyl)amino]-N-ethylacetamide
CID 2252415
2-(2-phenylethylamino)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2411489
2-(Benzenesulfonyl-benzyl-amino)-N-(3-methoxy-propyl)-acetamide
CID 3114017
2-[benzenesulfonyl(benzyl)amino]-N-(heptan-4-ylideneamino)acetamide
CID 3130096
N-benzyl-N'-(2-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethyl)ethanediamide
CID 3356142
N'-[(1-benzyl-4-piperidinyl)carbonyl]-4-methylbenzenesulfonohydrazide
CID 3794344

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide (CID 846482) is N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC(=O)NN)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide?
The InChIKey is GONFTEHQHRSFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-13-7-9-15(10-8-13)23(21,22)19(12-16(20)18-17)11-14-5-3-2-4-6-14/h2-10H,11-12,17H2,1H3,(H,18,20).
What are the key properties of N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide?
N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 846482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).