4-amino-N-(4-cyanophenyl)benzenesulfinamide

C13H11N3OS — CID 82482996

IUPAC4-amino-N-(4-cyanophenyl)benzenesulfinamide
SMILESN#Cc1ccc(NS(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C13H11N3OS/c14-9-10-1-5-12(6-2-10)16-18(17)13-7-3-11(15)4-8-13/h1-8,16H,15H2
InChIKeyVZTPJBGNDAOHBU-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.28
Rot. Bonds3

About 4-amino-N-(4-cyanophenyl)benzenesulfinamide

4-amino-N-(4-cyanophenyl)benzenesulfinamide (PubChem CID 82482996) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 4-amino-N-(4-cyanophenyl)benzenesulfinamide.

Molecular Properties

Compound Name4-amino-N-(4-cyanophenyl)benzenesulfinamide
PubChem CID82482996
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name4-amino-N-(4-cyanophenyl)benzenesulfinamide
SMILESN#Cc1ccc(NS(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C13H11N3OS/c14-9-10-1-5-12(6-2-10)16-18(17)13-7-3-11(15)4-8-13/h1-8,16H,15H2
InChIKeyVZTPJBGNDAOHBU-UHFFFAOYSA-N
XLogP2.28
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino(13C)benzonitrile
CID 10080388
1-amino-4-(sulfinamoylamino)benzene
CID 90338504
4-[1-(4-aminophenyl)ethylamino]benzonitrile
CID 60869452
4-aminobenzonitrile;4-[4,6-bis(4-aminophenyl)-1,3,5-triazin-2-yl]aniline;[4-[4,6-bis(4-hydrazinylphenyl)-1,3,5-triazin-2-yl]phenyl]hydrazine;4-hydrazinylbenzonitrile
CID 158635272
1-(4-aminophenyl)-3-(4-cyanophenyl)-1-methylurea
CID 28894609
azane;benzene-1,4-dicarbonitrile
CID 174336566
N-(4-chlorophenyl)-4-methylbenzenesulfinamide
CID 581510
4-cyano-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfinamide
CID 138715698
4-(5-amino-2-methylanilino)benzonitrile
CID 62588662
4-amino-N-[1-(4-cyanophenyl)ethyl]benzenesulfonamide
CID 61125319
4-[(4-aminophenyl)methylsulfanylmethyl]benzonitrile
CID 82178515
5-amino-N-(4-cyanophenyl)-2-methylbenzamide
CID 61291527

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-cyanophenyl)benzenesulfinamide?
The IUPAC name of 4-amino-N-(4-cyanophenyl)benzenesulfinamide (CID 82482996) is 4-amino-N-(4-cyanophenyl)benzenesulfinamide.
What is the SMILES notation for 4-amino-N-(4-cyanophenyl)benzenesulfinamide?
The canonical SMILES for 4-amino-N-(4-cyanophenyl)benzenesulfinamide is N#Cc1ccc(NS(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-(4-cyanophenyl)benzenesulfinamide?
The InChIKey is VZTPJBGNDAOHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c14-9-10-1-5-12(6-2-10)16-18(17)13-7-3-11(15)4-8-13/h1-8,16H,15H2.
What are the key properties of 4-amino-N-(4-cyanophenyl)benzenesulfinamide?
4-amino-N-(4-cyanophenyl)benzenesulfinamide has a molecular weight of 257.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-cyanophenyl)benzenesulfinamide is sourced from PubChem (CID 82482996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).