N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide

C10H9N5O2S — CID 169337738

IUPACN-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(NN=C(C#N)C#N)c1
InChIInChI=1S/C10H9N5O2S/c1-18(16,17)15-9-4-2-3-8(5-9)13-14-10(6-11)7-12/h2-5,13,15H,1H3
InChIKeyZDGVGYIUMMRLDM-UHFFFAOYSA-N
MW263.28 g/mol
LogP0.87
Rot. Bonds4

About N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide

N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide (PubChem CID 169337738) has the molecular formula C10H9N5O2S and a molecular weight of 263.28 g/mol. Its IUPAC name is N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide
PubChem CID169337738
Molecular FormulaC10H9N5O2S
Molecular Weight263.28 g/mol
Exact Mass263.05
IUPAC NameN-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(NN=C(C#N)C#N)c1
InChIInChI=1S/C10H9N5O2S/c1-18(16,17)15-9-4-2-3-8(5-9)13-14-10(6-11)7-12/h2-5,13,15H,1H3
InChIKeyZDGVGYIUMMRLDM-UHFFFAOYSA-N
XLogP0.87
TPSA118.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
N-[3-(1,2-dicyanoethenylamino)phenyl]methanesulfonamide
CID 67571264
methyl 2-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]acetate
CID 169337886
N-[3-(methanesulfonamido)phenyl]formamide
CID 54434866
2-[[4-(methylsulfonylmethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169338895
2-[[3-(4-methoxyphenyl)phenyl]hydrazinylidene]propanedinitrile
CID 169338906
2-[[3-(methoxymethoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169339661
tert-butyl N-[1-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]ethyl]carbamate
CID 169340820
3-[2-(dicyanomethylidene)hydrazinyl]-N-(2-methylpropyl)benzamide
CID 169338365
tert-butyl N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 169338149
3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446
3-[2-(dicyanomethylidene)hydrazinyl]-N-(3,4-dimethylphenyl)benzamide
CID 169338246

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide (CID 169337738) is N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(NN=C(C#N)C#N)c1.
What is the InChIKey of N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide?
The InChIKey is ZDGVGYIUMMRLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2S/c1-18(16,17)15-9-4-2-3-8(5-9)13-14-10(6-11)7-12/h2-5,13,15H,1H3.
What are the key properties of N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide?
N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide has a molecular weight of 263.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dicyanomethylidene)hydrazinyl]phenyl]methanesulfonamide is sourced from PubChem (CID 169337738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).