N-(4-cyanophenyl)methanesulfonohydrazide

C8H9N3O2S — CID 163198401

IUPACN-(4-cyanophenyl)methanesulfonohydrazide
SMILESCS(=O)(=O)N(N)c1ccc(C#N)cc1
InChIInChI=1S/C8H9N3O2S/c1-14(12,13)11(10)8-4-2-7(6-9)3-5-8/h2-5H,10H2,1H3
InChIKeyKYNNAAHAAMEUIO-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.20
Rot. Bonds2

About N-(4-cyanophenyl)methanesulfonohydrazide

N-(4-cyanophenyl)methanesulfonohydrazide (PubChem CID 163198401) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is N-(4-cyanophenyl)methanesulfonohydrazide.

Molecular Properties

Compound NameN-(4-cyanophenyl)methanesulfonohydrazide
PubChem CID163198401
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC NameN-(4-cyanophenyl)methanesulfonohydrazide
SMILESCS(=O)(=O)N(N)c1ccc(C#N)cc1
InChIInChI=1S/C8H9N3O2S/c1-14(12,13)11(10)8-4-2-7(6-9)3-5-8/h2-5H,10H2,1H3
InChIKeyKYNNAAHAAMEUIO-UHFFFAOYSA-N
XLogP0.20
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.20
H-Bond Donors ≤ 51
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-cyanophenyl)-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 60522601
N-(4-cyanophenyl)-N-[(3-methylphenyl)methyl]methanesulfonamide
CID 60522673
(N-acetyl-4-cyanoanilino) methanesulfonate
CID 13158215
azane;benzene-1,4-dicarbonitrile
CID 174336566
N-(4-cyanophenyl)-4-methyl-N-phenylbenzenesulfonamide
CID 22292988
N-(4-bromo-3-methylphenyl)methanesulfonohydrazide
CID 82307190
2-amino-1-(4-cyanophenyl)-1-methylguanidine
CID 77054083
3-(4-cyano-N-methylsulfonylanilino)-N-(4-cyanophenyl)propanamide
CID 113147041
N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141999
4-(4-cyano-N-ethylanilino)benzonitrile
CID 102137566
4-[bis(trimethylsilyl)amino]benzonitrile
CID 66606543
4-[2-(4-cyano-N-methylanilino)ethyl-methylamino]benzonitrile
CID 46837999

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)methanesulfonohydrazide?
The IUPAC name of N-(4-cyanophenyl)methanesulfonohydrazide (CID 163198401) is N-(4-cyanophenyl)methanesulfonohydrazide.
What is the SMILES notation for N-(4-cyanophenyl)methanesulfonohydrazide?
The canonical SMILES for N-(4-cyanophenyl)methanesulfonohydrazide is CS(=O)(=O)N(N)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)methanesulfonohydrazide?
The InChIKey is KYNNAAHAAMEUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-14(12,13)11(10)8-4-2-7(6-9)3-5-8/h2-5H,10H2,1H3.
What are the key properties of N-(4-cyanophenyl)methanesulfonohydrazide?
N-(4-cyanophenyl)methanesulfonohydrazide has a molecular weight of 211.25 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)methanesulfonohydrazide is sourced from PubChem (CID 163198401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).