N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxybenzenesulfonamide

C15H21NO3S — CID 4297774

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1
InChIInChI=1S/C15H21NO3S/c1-2-19-13-5-7-14(8-6-13)20(17,18)16-15-10-11-3-4-12(15)9-11/h5-8,11-12,15-16H,2-4,9-10H2,1H3
InChIKeyTYAPBXYYMFMLOI-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.55
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxybenzenesulfonamide

N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxybenzenesulfonamide (PubChem CID 4297774) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-ethoxybenzenesulfonamide
PubChem CID4297774
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1
InChIInChI=1S/C15H21NO3S/c1-2-19-13-5-7-14(8-6-13)20(17,18)16-15-10-11-3-4-12(15)9-11/h5-8,11-12,15-16H,2-4,9-10H2,1H3
InChIKeyTYAPBXYYMFMLOI-UHFFFAOYSA-N
XLogP2.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide
CID 11878164
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 50898130
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-chlorobenzenesulfonamide
CID 98084772
N-(2-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide
CID 2894402
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethoxybenzamide
CID 98736172
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzenesulfonamide
CID 7462489
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]naphthalene-2-sulfonamide
CID 7333463
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-3-bromo-4-methoxybenzenesulfonamide
CID 1092308
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(2S)-2-ethylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 23280899
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(2S)-2-ethylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 1373918
N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 98232142
N-[2-(aminomethyl)cyclopentyl]-4-ethoxybenzenesulfonamide;hydrochloride
CID 119985851

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxybenzenesulfonamide (CID 4297774) is N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxybenzenesulfonamide?
The InChIKey is TYAPBXYYMFMLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-2-19-13-5-7-14(8-6-13)20(17,18)16-15-10-11-3-4-12(15)9-11/h5-8,11-12,15-16H,2-4,9-10H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxybenzenesulfonamide?
N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxybenzenesulfonamide has a molecular weight of 295.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 4297774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).