3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4,5-dimethylbenzenesulfonamide

C16H22N2O2S — CID 43781239

IUPAC3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NCC2CC3C=CC2C3)c1C
InChIInChI=1S/C16H22N2O2S/c1-10-5-15(21(17,19)20)8-16(11(10)2)18-9-14-7-12-3-4-13(14)6-12/h3-5,8,12-14,18H,6-7,9H2,1-2H3,(H2,17,19,20)
InChIKeyZNWBYGUCNJIYDF-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.57
Rot. Bonds4

About 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4,5-dimethylbenzenesulfonamide

3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4,5-dimethylbenzenesulfonamide (PubChem CID 43781239) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4,5-dimethylbenzenesulfonamide
PubChem CID43781239
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(NCC2CC3C=CC2C3)c1C
InChIInChI=1S/C16H22N2O2S/c1-10-5-15(21(17,19)20)8-16(11(10)2)18-9-14-7-12-3-4-13(14)6-12/h3-5,8,12-14,18H,6-7,9H2,1-2H3,(H2,17,19,20)
InChIKeyZNWBYGUCNJIYDF-UHFFFAOYSA-N
XLogP2.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4,5-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)benzenesulfonamide
CID 43761234
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2,5-difluoro-4-methylaniline
CID 103585133
3,4-dimethyl-5-(2-methylpropylamino)benzenesulfonamide
CID 43684700
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-fluoro-2-methylaniline
CID 43764109
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methyl-4-methylsulfonylphenyl)methyl]methanamine
CID 75379874
N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylphenyl]acetamide
CID 43778979
3-(cycloheptylamino)-4,5-dimethylbenzenesulfonamide
CID 43684686
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylbenzenesulfonamide
CID 4680365
3-(methanesulfonamido)-4,5-dimethylbenzenesulfonamide
CID 60651633
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
3,4-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide
CID 104769750
3-[(4-hydroxyphenyl)methylamino]-4,5-dimethylbenzenesulfonamide
CID 43684675

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4,5-dimethylbenzenesulfonamide (CID 43781239) is 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4,5-dimethylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)cc(NCC2CC3C=CC2C3)c1C.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4,5-dimethylbenzenesulfonamide?
The InChIKey is ZNWBYGUCNJIYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-10-5-15(21(17,19)20)8-16(11(10)2)18-9-14-7-12-3-4-13(14)6-12/h3-5,8,12-14,18H,6-7,9H2,1-2H3,(H2,17,19,20).
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4,5-dimethylbenzenesulfonamide?
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4,5-dimethylbenzenesulfonamide has a molecular weight of 306.43 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 43781239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).