3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)benzenesulfonamide

C14H18N2O2S — CID 43761234

IUPAC3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NCC2CC3C=CC2C3)c1
InChIInChI=1S/C14H18N2O2S/c15-19(17,18)14-3-1-2-13(8-14)16-9-12-7-10-4-5-11(12)6-10/h1-5,8,10-12,16H,6-7,9H2,(H2,15,17,18)
InChIKeyUESJPKQKFLMXSB-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.96
Rot. Bonds4

About 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)benzenesulfonamide

3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)benzenesulfonamide (PubChem CID 43761234) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)benzenesulfonamide
PubChem CID43761234
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NCC2CC3C=CC2C3)c1
InChIInChI=1S/C14H18N2O2S/c15-19(17,18)14-3-1-2-13(8-14)16-9-12-7-10-4-5-11(12)6-10/h1-5,8,10-12,16H,6-7,9H2,(H2,15,17,18)
InChIKeyUESJPKQKFLMXSB-UHFFFAOYSA-N
XLogP1.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.96
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)benzenesulfonamide 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)-N,N-dimethylbenzenesulfonamide
CID 43784813
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]aniline
CID 93281000
N-(3-sulfamoylphenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 60635841
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4,5-dimethylbenzenesulfonamide
CID 43781239
methyl N-[3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]carbamate
CID 60942839
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]pyridin-3-amine
CID 98119288
3-(2,2-dimethylpropylamino)benzenesulfonamide;methane
CID 159144655
6-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-4H-1,4-benzoxazin-3-one
CID 43767737
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(3-hydroxyphenyl)oxamide
CID 51972824
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylbenzenesulfonamide
CID 4680365
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)hydroxylamine
CID 13440364
1-[[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)phenyl]methyl]pyrrolidine-2,5-dione
CID 122158633

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)benzenesulfonamide?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)benzenesulfonamide (CID 43761234) is 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)benzenesulfonamide.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)benzenesulfonamide?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)benzenesulfonamide is NS(=O)(=O)c1cccc(NCC2CC3C=CC2C3)c1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)benzenesulfonamide?
The InChIKey is UESJPKQKFLMXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c15-19(17,18)14-3-1-2-13(8-14)16-9-12-7-10-4-5-11(12)6-10/h1-5,8,10-12,16H,6-7,9H2,(H2,15,17,18).
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)benzenesulfonamide?
3-(2-bicyclo[2.2.1]hept-5-enylmethylamino)benzenesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 1.96, 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)benzenesulfonamide is sourced from PubChem (CID 43761234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).