4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-methylbenzenesulfonamide

C16H22N2O2S — CID 43790318

IUPAC4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C)C2CC3C=CC2C3)cc1
InChIInChI=1S/C16H22N2O2S/c1-11(16-10-12-3-4-13(16)9-12)18-14-5-7-15(8-6-14)21(19,20)17-2/h3-8,11-13,16-18H,9-10H2,1-2H3
InChIKeyAIKRNENTTFEAFY-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.61
Rot. Bonds5

About 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-methylbenzenesulfonamide

4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-methylbenzenesulfonamide (PubChem CID 43790318) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-methylbenzenesulfonamide
PubChem CID43790318
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C)C2CC3C=CC2C3)cc1
InChIInChI=1S/C16H22N2O2S/c1-11(16-10-12-3-4-13(16)9-12)18-14-5-7-15(8-6-14)21(19,20)17-2/h3-8,11-13,16-18H,9-10H2,1-2H3
InChIKeyAIKRNENTTFEAFY-UHFFFAOYSA-N
XLogP2.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-ethylsulfonylaniline
CID 43782392
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-methoxyaniline
CID 43766014
4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-2-fluorophenol
CID 64792610
4-(dicyclopropylmethylamino)-N-methylbenzenesulfonamide
CID 43742541
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-bromo-3,5-dimethylaniline
CID 107571952
N-methyl-4-(5-methylheptan-3-ylamino)benzenesulfonamide
CID 43742528
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(trifluoromethyl)aniline
CID 43758490
2-[4-(methylsulfamoyl)anilino]propanamide
CID 43545637
N-methyl-4-(methylamino)benzenesulfonamide
CID 15049669
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-6-(1,2,4-triazol-1-yl)pyridin-3-amine
CID 43782808
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]quinolin-3-amine
CID 43782750
4-(hexan-2-ylamino)-N-methylbenzenesulfonamide
CID 43790312

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-methylbenzenesulfonamide (CID 43790318) is 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NC(C)C2CC3C=CC2C3)cc1.
What is the InChIKey of 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-methylbenzenesulfonamide?
The InChIKey is AIKRNENTTFEAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-11(16-10-12-3-4-13(16)9-12)18-14-5-7-15(8-6-14)21(19,20)17-2/h3-8,11-13,16-18H,9-10H2,1-2H3.
What are the key properties of 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-methylbenzenesulfonamide?
4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-methylbenzenesulfonamide has a molecular weight of 306.43 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 43790318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).