N-(2-amino-4-bromo-6-methylphenyl)-4-cyanobenzenesulfonamide

C14H12BrN3O2S — CID 43551010

IUPACN-(2-amino-4-bromo-6-methylphenyl)-4-cyanobenzenesulfonamide
SMILESCc1cc(Br)cc(N)c1NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H12BrN3O2S/c1-9-6-11(15)7-13(17)14(9)18-21(19,20)12-4-2-10(8-16)3-5-12/h2-7,18H,17H2,1H3
InChIKeyJIYVRLSIEUDHQD-UHFFFAOYSA-N
MW366.24 g/mol
LogP3.01
Rot. Bonds3

About N-(2-amino-4-bromo-6-methylphenyl)-4-cyanobenzenesulfonamide

N-(2-amino-4-bromo-6-methylphenyl)-4-cyanobenzenesulfonamide (PubChem CID 43551010) has the molecular formula C14H12BrN3O2S and a molecular weight of 366.24 g/mol. Its IUPAC name is N-(2-amino-4-bromo-6-methylphenyl)-4-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-bromo-6-methylphenyl)-4-cyanobenzenesulfonamide
PubChem CID43551010
Molecular FormulaC14H12BrN3O2S
Molecular Weight366.24 g/mol
Exact Mass364.98
IUPAC NameN-(2-amino-4-bromo-6-methylphenyl)-4-cyanobenzenesulfonamide
SMILESCc1cc(Br)cc(N)c1NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H12BrN3O2S/c1-9-6-11(15)7-13(17)14(9)18-21(19,20)12-4-2-10(8-16)3-5-12/h2-7,18H,17H2,1H3
InChIKeyJIYVRLSIEUDHQD-UHFFFAOYSA-N
XLogP3.01
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 53.01
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-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide
CID 104757197
N-(2-amino-4,6-difluorophenyl)-4-cyanobenzenesulfonamide
CID 81305247
4-amino-N-(2-bromo-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107796855
N-(4-bromo-2-cyanophenyl)-4-cyanobenzenesulfonamide
CID 82694174
3-amino-4-bromo-N-(5-cyano-2-methylphenyl)benzenesulfonamide
CID 115329217
5-bromo-3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine
CID 114804604
N-(2-amino-4,6-dibromophenyl)-4-chlorobenzenesulfonamide
CID 43550694
4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbenzenesulfonamide
CID 82692234
N-(3-amino-4-ethylphenyl)-4-cyanobenzenesulfonamide
CID 43551091
4-amino-N-(2-chloro-4-cyanophenyl)-3-methylbenzenesulfonamide
CID 107806926
N-(4-bromo-2-hydroxy-6-methylphenyl)-4-methylbenzenesulfonamide
CID 169370170
N-(2-chloro-6-methylphenyl)-4-cyanobenzenesulfonamide
CID 66254566

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-4-cyanobenzenesulfonamide?
The IUPAC name of N-(2-amino-4-bromo-6-methylphenyl)-4-cyanobenzenesulfonamide (CID 43551010) is N-(2-amino-4-bromo-6-methylphenyl)-4-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-bromo-6-methylphenyl)-4-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4-bromo-6-methylphenyl)-4-cyanobenzenesulfonamide is Cc1cc(Br)cc(N)c1NS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-(2-amino-4-bromo-6-methylphenyl)-4-cyanobenzenesulfonamide?
The InChIKey is JIYVRLSIEUDHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O2S/c1-9-6-11(15)7-13(17)14(9)18-21(19,20)12-4-2-10(8-16)3-5-12/h2-7,18H,17H2,1H3.
What are the key properties of N-(2-amino-4-bromo-6-methylphenyl)-4-cyanobenzenesulfonamide?
N-(2-amino-4-bromo-6-methylphenyl)-4-cyanobenzenesulfonamide has a molecular weight of 366.24 g/mol, XLogP of 3.01, 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-bromo-6-methylphenyl)-4-cyanobenzenesulfonamide is sourced from PubChem (CID 43551010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).