(3-cyanophenyl)methanesulfonohydrazide

C8H9N3O2S — CID 43476897

IUPAC(3-cyanophenyl)methanesulfonohydrazide
SMILESN#Cc1cccc(CS(=O)(=O)NN)c1
InChIInChI=1S/C8H9N3O2S/c9-5-7-2-1-3-8(4-7)6-14(12,13)11-10/h1-4,11H,6,10H2
InChIKeyBVXSQIGYPCDPGB-UHFFFAOYSA-N
MW211.25 g/mol
LogP-0.15
Rot. Bonds3

About (3-cyanophenyl)methanesulfonohydrazide

(3-cyanophenyl)methanesulfonohydrazide (PubChem CID 43476897) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is (3-cyanophenyl)methanesulfonohydrazide.

Molecular Properties

Compound Name(3-cyanophenyl)methanesulfonohydrazide
PubChem CID43476897
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Name(3-cyanophenyl)methanesulfonohydrazide
SMILESN#Cc1cccc(CS(=O)(=O)NN)c1
InChIInChI=1S/C8H9N3O2S/c9-5-7-2-1-3-8(4-7)6-14(12,13)11-10/h1-4,11H,6,10H2
InChIKeyBVXSQIGYPCDPGB-UHFFFAOYSA-N
XLogP-0.15
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
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

methyl 3-[(3-cyanophenyl)methylsulfonylamino]-2-hydroxypropanoate
CID 103878673
1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide
CID 83029588
1-(3-cyanophenyl)-N-(2-methylprop-2-enyl)methanesulfonamide
CID 114616443
3-[(4-aminophenyl)sulfonylmethyl]benzonitrile
CID 61367834
N-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide
CID 43604837
N-(2-amino-4-methylpentyl)-1-(3-cyanophenyl)methanesulfonamide
CID 43606425
1-(3-cyanophenyl)-N-(2-hydroxy-3-methylbutyl)methanesulfonamide
CID 115755079
1-(3-cyanophenyl)-N-(2-methoxypropyl)methanesulfonamide
CID 102697469
1-(3-cyanophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)methanesulfonamide
CID 115363084
1-(3-cyanophenyl)-N-[2-methyl-3-(methylamino)propyl]methanesulfonamide
CID 115302875
1-(3-cyanophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)methanesulfonamide
CID 115754866
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-cyanophenyl)methanesulfonamide
CID 115309924

Frequently Asked Questions

What is the IUPAC name of (3-cyanophenyl)methanesulfonohydrazide?
The IUPAC name of (3-cyanophenyl)methanesulfonohydrazide (CID 43476897) is (3-cyanophenyl)methanesulfonohydrazide.
What is the SMILES notation for (3-cyanophenyl)methanesulfonohydrazide?
The canonical SMILES for (3-cyanophenyl)methanesulfonohydrazide is N#Cc1cccc(CS(=O)(=O)NN)c1.
What is the InChIKey of (3-cyanophenyl)methanesulfonohydrazide?
The InChIKey is BVXSQIGYPCDPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c9-5-7-2-1-3-8(4-7)6-14(12,13)11-10/h1-4,11H,6,10H2.
What are the key properties of (3-cyanophenyl)methanesulfonohydrazide?
(3-cyanophenyl)methanesulfonohydrazide has a molecular weight of 211.25 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyanophenyl)methanesulfonohydrazide is sourced from PubChem (CID 43476897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).