N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide

C13H9Cl2N3O2S — CID 78965173

IUPACN-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c(N)c1
InChIInChI=1S/C13H9Cl2N3O2S/c14-10-3-2-9(6-11(10)15)21(19,20)18-13-4-1-8(7-16)5-12(13)17/h1-6,18H,17H2
InChIKeyMGSMCHKGMKTJON-UHFFFAOYSA-N
MW342.21 g/mol
LogP3.25
Rot. Bonds3

About N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide

N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide (PubChem CID 78965173) has the molecular formula C13H9Cl2N3O2S and a molecular weight of 342.21 g/mol. Its IUPAC name is N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide
PubChem CID78965173
Molecular FormulaC13H9Cl2N3O2S
Molecular Weight342.21 g/mol
Exact Mass340.98
IUPAC NameN-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c(N)c1
InChIInChI=1S/C13H9Cl2N3O2S/c14-10-3-2-9(6-11(10)15)21(19,20)18-13-4-1-8(7-16)5-12(13)17/h1-6,18H,17H2
InChIKeyMGSMCHKGMKTJON-UHFFFAOYSA-N
XLogP3.25
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.21
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-cyanophenyl)-3,4-difluorobenzenesulfonamide
CID 78965177
N-(2-amino-4-bromophenyl)-3,4-dichlorobenzenesulfonamide
CID 43344070
N-(2-amino-4-hydroxyphenyl)-3,4-dichlorobenzenesulfonamide
CID 107697982
4-amino-N-(2-chloro-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107806926
4-cyano-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 26979603
2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide
CID 107810158
3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261
3-bromo-4-chloro-N-(4-cyano-2-fluorophenyl)benzenesulfonamide
CID 106605845
3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82682816
N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 103791853
2-amino-N-(2-chloro-5-fluorophenyl)-4-cyanobenzenesulfonamide
CID 107526668
N-(2-amino-4-hydroxyphenyl)-3-cyanobenzenesulfonamide
CID 107697986

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide?
The IUPAC name of N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide (CID 78965173) is N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide is N#Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c(N)c1.
What is the InChIKey of N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide?
The InChIKey is MGSMCHKGMKTJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O2S/c14-10-3-2-9(6-11(10)15)21(19,20)18-13-4-1-8(7-16)5-12(13)17/h1-6,18H,17H2.
What are the key properties of N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide?
N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide has a molecular weight of 342.21 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-cyanophenyl)-3,4-dichlorobenzenesulfonamide is sourced from PubChem (CID 78965173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).