N-(2-amino-5-chlorophenyl)-4-cyano-N-methylbenzenesulfonamide

C14H12ClN3O2S — CID 107465930

IUPACN-(2-amino-5-chlorophenyl)-4-cyano-N-methylbenzenesulfonamide
SMILESCN(c1cc(Cl)ccc1N)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H12ClN3O2S/c1-18(14-8-11(15)4-7-13(14)17)21(19,20)12-5-2-10(9-16)3-6-12/h2-8H,17H2,1H3
InChIKeyWIFXOOHWEMDWRP-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.62
Rot. Bonds3

About N-(2-amino-5-chlorophenyl)-4-cyano-N-methylbenzenesulfonamide

N-(2-amino-5-chlorophenyl)-4-cyano-N-methylbenzenesulfonamide (PubChem CID 107465930) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-4-cyano-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-4-cyano-N-methylbenzenesulfonamide
PubChem CID107465930
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC NameN-(2-amino-5-chlorophenyl)-4-cyano-N-methylbenzenesulfonamide
SMILESCN(c1cc(Cl)ccc1N)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H12ClN3O2S/c1-18(14-8-11(15)4-7-13(14)17)21(19,20)12-5-2-10(9-16)3-6-12/h2-8H,17H2,1H3
InChIKeyWIFXOOHWEMDWRP-UHFFFAOYSA-N
XLogP2.62
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-amino-5-chloro-N-methylanilino)methyl]benzonitrile
CID 115468933
3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide
CID 62982630
N-(2-amino-5-chlorophenyl)-5-bromo-N-methylthiophene-2-sulfonamide
CID 107465906
N-(2-amino-5-chlorophenyl)-N-methyl-1H-imidazole-5-sulfonamide
CID 107465863
N-(2-amino-5-chlorophenyl)-5-cyano-N-methylpyridine-2-carboxamide
CID 107465551
N-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100503345
N-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide
CID 107465924
3-bromo-4-chloro-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 106605814
[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] 4-cyanobenzoate
CID 26203204
3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 62982247
N-(2-amino-5-chlorophenyl)-2-methoxy-N-methylethanesulfonamide
CID 107465946
N-amino-N-(2-amino-5-chlorophenyl)hydroxylamine
CID 135265282

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-4-cyano-N-methylbenzenesulfonamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-4-cyano-N-methylbenzenesulfonamide (CID 107465930) is N-(2-amino-5-chlorophenyl)-4-cyano-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-4-cyano-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-4-cyano-N-methylbenzenesulfonamide is CN(c1cc(Cl)ccc1N)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-4-cyano-N-methylbenzenesulfonamide?
The InChIKey is WIFXOOHWEMDWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c1-18(14-8-11(15)4-7-13(14)17)21(19,20)12-5-2-10(9-16)3-6-12/h2-8H,17H2,1H3.
What are the key properties of N-(2-amino-5-chlorophenyl)-4-cyano-N-methylbenzenesulfonamide?
N-(2-amino-5-chlorophenyl)-4-cyano-N-methylbenzenesulfonamide has a molecular weight of 321.79 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-4-cyano-N-methylbenzenesulfonamide is sourced from PubChem (CID 107465930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).