4-amino-N-benzyl-2-cyano-N-methylbenzenesulfonamide

C15H15N3O2S — CID 43256233

IUPAC4-amino-N-benzyl-2-cyano-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1C#N
InChIInChI=1S/C15H15N3O2S/c1-18(11-12-5-3-2-4-6-12)21(19,20)15-8-7-14(17)9-13(15)10-16/h2-9H,11,17H2,1H3
InChIKeyKFEZCMQXKCKBOU-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.96
Rot. Bonds4

About 4-amino-N-benzyl-2-cyano-N-methylbenzenesulfonamide

4-amino-N-benzyl-2-cyano-N-methylbenzenesulfonamide (PubChem CID 43256233) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-amino-N-benzyl-2-cyano-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-benzyl-2-cyano-N-methylbenzenesulfonamide
PubChem CID43256233
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name4-amino-N-benzyl-2-cyano-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1C#N
InChIInChI=1S/C15H15N3O2S/c1-18(11-12-5-3-2-4-6-12)21(19,20)15-8-7-14(17)9-13(15)10-16/h2-9H,11,17H2,1H3
InChIKeyKFEZCMQXKCKBOU-UHFFFAOYSA-N
XLogP1.96
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.96
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

4-((Phenylmethyl)amino)benzenesulfonamide
CID 2755709
4-amino-N-benzylbenzene-1-sulfonamide
CID 66909
N-(3-(3-aminopropyl)phenyl)benzenesulfonamide
CID 11849197
N-(2-Cyanophenyl)-4-methylbenzenesulfonamide
CID 561404
N-(3-(2-aminoethyl)phenyl)benzenesulfonamide
CID 11849194
N-(3-(aminomethyl)phenyl)benzenesulfonamide
CID 11849791
n-(4-Cyanophenyl)-4-methylbenzenesulfonamide
CID 257975
N-(3-Methylphenyl)benzenesulfonamide
CID 202958
N-benzyl-4-[(benzylsulfonyl)amino]-N-methylbenzenesulfonamide
CID 1025603
2-cyano-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
CID 1251952
4-[(4-Methylphenyl)methylamino]benzenesulfonamide
CID 2755708
N-(3-(2-(methylamino)ethyl)phenyl)benzenesulfonamide
CID 11849203

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-2-cyano-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-benzyl-2-cyano-N-methylbenzenesulfonamide (CID 43256233) is 4-amino-N-benzyl-2-cyano-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-benzyl-2-cyano-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-benzyl-2-cyano-N-methylbenzenesulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(N)cc1C#N.
What is the InChIKey of 4-amino-N-benzyl-2-cyano-N-methylbenzenesulfonamide?
The InChIKey is KFEZCMQXKCKBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-18(11-12-5-3-2-4-6-12)21(19,20)15-8-7-14(17)9-13(15)10-16/h2-9H,11,17H2,1H3.
What are the key properties of 4-amino-N-benzyl-2-cyano-N-methylbenzenesulfonamide?
4-amino-N-benzyl-2-cyano-N-methylbenzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-2-cyano-N-methylbenzenesulfonamide is sourced from PubChem (CID 43256233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).