N-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide

C15H19N3O2S — CID 106900182

IUPACN-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2ccc(NN)cc2)cc1
InChIInChI=1S/C15H19N3O2S/c1-2-12-3-5-13(6-4-12)11-17-21(19,20)15-9-7-14(18-16)8-10-15/h3-10,17-18H,2,11,16H2,1H3
InChIKeyFXGIAKJALPNLQC-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.01
Rot. Bonds6

About N-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide

N-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide (PubChem CID 106900182) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide
PubChem CID106900182
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide
SMILESCCc1ccc(CNS(=O)(=O)c2ccc(NN)cc2)cc1
InChIInChI=1S/C15H19N3O2S/c1-2-12-3-5-13(6-4-12)11-17-21(19,20)15-9-7-14(18-16)8-10-15/h3-10,17-18H,2,11,16H2,1H3
InChIKeyFXGIAKJALPNLQC-UHFFFAOYSA-N
XLogP2.01
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-hydrazinylbenzenesulfonamide
CID 43455024
4-(bromomethyl)-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106900636
N-[(4-ethylphenyl)methyl]-2-hydrazinylpyridine-4-sulfonamide
CID 106900184
4-ethyl-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 25046521
3-amino-4-chloro-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106899207
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
4-hydrazinyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546298
N-(2,2-dimethylpropyl)-4-hydrazinylbenzenesulfonamide
CID 61168465
N-(3-aminopropyl)-4-ethylbenzenesulfonamide
CID 28754062
N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101
4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409
N-(2-ethoxyethyl)-4-hydrazinylbenzenesulfonamide
CID 43591531

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide (CID 106900182) is N-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide is CCc1ccc(CNS(=O)(=O)c2ccc(NN)cc2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide?
The InChIKey is FXGIAKJALPNLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-12-3-5-13(6-4-12)11-17-21(19,20)15-9-7-14(18-16)8-10-15/h3-10,17-18H,2,11,16H2,1H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide?
N-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-4-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 106900182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).