N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide

C14H13N3O4S2 — CID 8500681

IUPACN'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNS(=O)(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C14H13N3O4S2/c1-11-2-6-13(7-3-11)22(18,19)16-17-23(20,21)14-8-4-12(10-15)5-9-14/h2-9,16-17H,1H3
InChIKeyWKKVHGGPWYVYQG-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.04
Rot. Bonds5

About N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide

N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide (PubChem CID 8500681) has the molecular formula C14H13N3O4S2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide.

Molecular Properties

Compound NameN'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
PubChem CID8500681
Molecular FormulaC14H13N3O4S2
Molecular Weight351.41 g/mol
Exact Mass351.03
IUPAC NameN'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
SMILESCc1ccc(S(=O)(=O)NNS(=O)(=O)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C14H13N3O4S2/c1-11-2-6-13(7-3-11)22(18,19)16-17-23(20,21)14-8-4-12(10-15)5-9-14/h2-9,16-17H,1H3
InChIKeyWKKVHGGPWYVYQG-UHFFFAOYSA-N
XLogP1.04
TPSA116.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-cyanophenoxy)propyl]-4-methylbenzenesulfonamide
CID 177415345
4-cyano-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]benzenesulfonamide
CID 60602522
N-[5-(4-cyanophenyl)thiophen-3-yl]-4-methylbenzenesulfonamide
CID 67299025
N'-(4-ethylphenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 9235680
N-(2,4-dicyano-6-methylphenyl)-4-methylbenzenesulfonamide
CID 169373023
4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide
CID 71579772
4-cyano-N-[2-(hydroxymethyl)-4-methylphenyl]benzenesulfonamide
CID 3870164
2-(4-methylphenoxy)ethyl 2-[(4-cyanophenyl)sulfonylamino]acetate
CID 7679281
2,4,6-trimethyl-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 14948232
4-[6-(4-cyanophenyl)-1,4-bis-(4-methylphenyl)sulfonyl-1,2,4,5-tetrazin-3-yl]benzonitrile
CID 102109815
N-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide
CID 22292988
4-methyl-N'-propan-2-ylbenzenesulfonohydrazide
CID 14470803

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide?
The IUPAC name of N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide (CID 8500681) is N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide.
What is the SMILES notation for N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide?
The canonical SMILES for N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide is Cc1ccc(S(=O)(=O)NNS(=O)(=O)c2ccc(C#N)cc2)cc1.
What is the InChIKey of N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide?
The InChIKey is WKKVHGGPWYVYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S2/c1-11-2-6-13(7-3-11)22(18,19)16-17-23(20,21)14-8-4-12(10-15)5-9-14/h2-9,16-17H,1H3.
What are the key properties of N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide?
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide has a molecular weight of 351.41 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide is sourced from PubChem (CID 8500681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).