N-cyano-4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide

C15H15N5O2S — CID 100975635

IUPACN-cyano-4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide
SMILESCN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NC#N)cc2)cc1
InChIInChI=1S/C15H15N5O2S/c1-20(2)14-7-3-12(4-8-14)18-19-13-5-9-15(10-6-13)23(21,22)17-11-16/h3-10,17H,1-2H3/b19-18+
InChIKeyBCHYGVJEAJISJB-VHEBQXMUSA-N
MW329.39 g/mol
LogP2.93
Rot. Bonds5

About N-cyano-4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide

N-cyano-4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide (PubChem CID 100975635) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is N-cyano-4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyano-4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide
PubChem CID100975635
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC NameN-cyano-4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide
SMILESCN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NC#N)cc2)cc1
InChIInChI=1S/C15H15N5O2S/c1-20(2)14-7-3-12(4-8-14)18-19-13-5-9-15(10-6-13)23(21,22)17-11-16/h3-10,17H,1-2H3/b19-18+
InChIKeyBCHYGVJEAJISJB-VHEBQXMUSA-N
XLogP2.93
TPSA97.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze N-cyano-4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-methylsulfonylsulfanylethyl)benzenesulfonamide
CID 3266790
4-[[4-(dimethylamino)phenyl]diazenyl]-N-(4-trimethoxysilylphenyl)benzenesulfonamide
CID 90444287
ethyl 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate
CID 14123301
N,N-bis(but-2-ynyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide
CID 102168127
2,7-bis[[4-(dimethylamino)phenyl]diazenyl]fluoren-9-one
CID 102448148
N-cyano-4-nitrobenzenesulfonamide
CID 100975639
(2S)-2-amino-6-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]hexanoic acid
CID 101250685
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide
CID 138743755
sodium;hydride;phenyl 4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonate
CID 174736147
sodium 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 23674498
4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfinate
CID 18548168
CID 57349684
CID 57349684

Frequently Asked Questions

What is the IUPAC name of N-cyano-4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide?
The IUPAC name of N-cyano-4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide (CID 100975635) is N-cyano-4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide.
What is the SMILES notation for N-cyano-4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide?
The canonical SMILES for N-cyano-4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide is CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)NC#N)cc2)cc1.
What is the InChIKey of N-cyano-4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide?
The InChIKey is BCHYGVJEAJISJB-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-20(2)14-7-3-12(4-8-14)18-19-13-5-9-15(10-6-13)23(21,22)17-11-16/h3-10,17H,1-2H3/b19-18+.
What are the key properties of N-cyano-4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide?
N-cyano-4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide has a molecular weight of 329.39 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfonamide is sourced from PubChem (CID 100975635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).