N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]ethanesulfonamide

C15H20N2O2S — CID 60932516

IUPACN-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NC2CC3CC=CC32)cc1
InChIInChI=1S/C15H20N2O2S/c1-2-20(18,19)17-13-8-6-12(7-9-13)16-15-10-11-4-3-5-14(11)15/h3,5-9,11,14-17H,2,4,10H2,1H3
InChIKeyMZBHXRAZEFJQJC-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.82
Rot. Bonds5

About N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]ethanesulfonamide

N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]ethanesulfonamide (PubChem CID 60932516) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]ethanesulfonamide
PubChem CID60932516
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(NC2CC3CC=CC32)cc1
InChIInChI=1S/C15H20N2O2S/c1-2-20(18,19)17-13-8-6-12(7-9-13)16-15-10-11-4-3-5-14(11)15/h3,5-9,11,14-17H,2,4,10H2,1H3
InChIKeyMZBHXRAZEFJQJC-UHFFFAOYSA-N
XLogP2.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.82
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-[4-[(3-methylcyclobutyl)amino]phenyl]ethanesulfonamide
CID 104860205
N-[4-(cycloheptylamino)phenyl]ethanesulfonamide
CID 60932393
N-(3-methylsulfanylphenyl)bicyclo[3.2.0]hept-3-en-6-amine
CID 43757292
N-[4-[4-(ethylsulfonylamino)phenoxy]phenyl]ethanesulfonamide
CID 1292287
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
CID 174697656
CID 174697656
N-[4-(azepan-4-ylamino)phenyl]ethanesulfonamide
CID 103981671
N-[4-(1-cyclopropylethylamino)phenyl]ethanesulfonamide
CID 54866252
N-[4-[[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]amino]phenyl]ethanesulfonamide
CID 124570805
N-[4-(4-propan-2-ylanilino)phenyl]ethanesulfonamide
CID 112986651
N-(6-bicyclo[3.2.0]hept-3-enyl)-1,3,4-thiadiazol-2-amine
CID 107648685
N-(4-acetylphenyl)ethanesulfonamide
CID 1219330

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]ethanesulfonamide (CID 60932516) is N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(NC2CC3CC=CC32)cc1.
What is the InChIKey of N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]ethanesulfonamide?
The InChIKey is MZBHXRAZEFJQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-2-20(18,19)17-13-8-6-12(7-9-13)16-15-10-11-4-3-5-14(11)15/h3,5-9,11,14-17H,2,4,10H2,1H3.
What are the key properties of N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]ethanesulfonamide?
N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]ethanesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-bicyclo[3.2.0]hept-3-enylamino)phenyl]ethanesulfonamide is sourced from PubChem (CID 60932516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).