N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylbenzenesulfonamide

C15H19NO2S — CID 4680365

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CC3C=CC2C3)cc1
InChIInChI=1S/C15H19NO2S/c1-11-2-6-15(7-3-11)19(17,18)16-10-14-9-12-4-5-13(14)8-12/h2-7,12-14,16H,8-10H2,1H3
InChIKeyGZZVQSCTQQUKSS-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.49
Rot. Bonds4

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylbenzenesulfonamide

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylbenzenesulfonamide (PubChem CID 4680365) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylbenzenesulfonamide
PubChem CID4680365
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CC3C=CC2C3)cc1
InChIInChI=1S/C15H19NO2S/c1-11-2-6-15(7-3-11)19(17,18)16-10-14-9-12-4-5-13(14)8-12/h2-7,12-14,16H,8-10H2,1H3
InChIKeyGZZVQSCTQQUKSS-UHFFFAOYSA-N
XLogP2.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methoxybenzenesulfonamide
CID 3732053
4-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 47190253
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 11899236
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-methylbenzamide
CID 98819419
N-[[(1R,2R)-2-(chloromethyl)cyclopentyl]methyl]-4-methylbenzenesulfonamide
CID 23248440
4-methyl-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]benzenesulfonamide
CID 7335395
4-methyl-N-[[(2R)-oxiran-2-yl]methyl]benzenesulfonamide
CID 10398836
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1,1,1-trifluoromethanesulfonamide
CID 99134593
4-methyl-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 80563394
N-[2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethyl]methanesulfonamide
CID 3598178
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-methylbenzenesulfonamide
CID 71213352

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylbenzenesulfonamide (CID 4680365) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2CC3C=CC2C3)cc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylbenzenesulfonamide?
The InChIKey is GZZVQSCTQQUKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-11-2-6-15(7-3-11)19(17,18)16-10-14-9-12-4-5-13(14)8-12/h2-7,12-14,16H,8-10H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylbenzenesulfonamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylbenzenesulfonamide has a molecular weight of 277.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 4680365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).