4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide

C13H15N3O2S2 — CID 43454843

IUPAC4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1ccc(NS(=O)(=O)c2ccc(NN)cc2)cc1
InChIInChI=1S/C13H15N3O2S2/c1-19-12-6-2-11(3-7-12)16-20(17,18)13-8-4-10(15-14)5-9-13/h2-9,15-16H,14H2,1H3
InChIKeyCCNIHTCYQJRZQI-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.49
Rot. Bonds5

About 4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide

4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 43454843) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
PubChem CID43454843
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1ccc(NS(=O)(=O)c2ccc(NN)cc2)cc1
InChIInChI=1S/C13H15N3O2S2/c1-19-12-6-2-11(3-7-12)16-20(17,18)13-8-4-10(15-14)5-9-13/h2-9,15-16H,14H2,1H3
InChIKeyCCNIHTCYQJRZQI-UHFFFAOYSA-N
XLogP2.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
CID 1249295
3-amino-4-bromo-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 115328665
4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 8860403
N-(3-chloro-4-methylphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide
CID 126416212
N-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide
CID 2967801
N-(2,5-dimethylphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide
CID 2978852
5-chloro-6-hydrazinyl-N-(4-methylsulfanylphenyl)pyridine-3-sulfonamide
CID 64607396
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 81440404
3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 28528828
3-[4-[(4-methylsulfanylphenyl)sulfamoyl]phenyl]propanoic acid
CID 8860708
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide
CID 78791501
4-methylsulfanyl-N-[4-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 49188791

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide (CID 43454843) is 4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide is CSc1ccc(NS(=O)(=O)c2ccc(NN)cc2)cc1.
What is the InChIKey of 4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is CCNIHTCYQJRZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c1-19-12-6-2-11(3-7-12)16-20(17,18)13-8-4-10(15-14)5-9-13/h2-9,15-16H,14H2,1H3.
What are the key properties of 4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide?
4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide has a molecular weight of 309.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 43454843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).