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

C14H19NO2S2 — CID 2972062

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1
InChIInChI=1S/C14H19NO2S2/c1-18-12-4-6-13(7-5-12)19(16,17)15-14-9-10-2-3-11(14)8-10/h4-7,10-11,14-15H,2-3,8-9H2,1H3
InChIKeySGAMUWPYXPKUJP-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.88
Rot. Bonds4

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

N-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbenzenesulfonamide (PubChem CID 2972062) has the molecular formula C14H19NO2S2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbenzenesulfonamide
PubChem CID2972062
Molecular FormulaC14H19NO2S2
Molecular Weight297.44 g/mol
Exact Mass297.09
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1
InChIInChI=1S/C14H19NO2S2/c1-18-12-4-6-13(7-5-12)19(16,17)15-14-9-10-2-3-11(14)8-10/h4-7,10-11,14-15H,2-3,8-9H2,1H3
InChIKeySGAMUWPYXPKUJP-UHFFFAOYSA-N
XLogP2.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbenzenesulfonamide with MolForge

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Related Compounds

N-Bicyclo[2.2.1]hept-2-yl-4-methylbenzenesulfonamide
CID 573551
N-cyclohexyl-4-(methylsulfanyl)benzenesulfonamide
CID 803800
N-bicyclo[2.2.1]hept-2-yl-4-fluorobenzenesulfonamide
CID 2893042
N-cyclopentyl-4-(methylsulfanyl)benzenesulfonamide
CID 961786
N-(bicyclo[2.2.1]hept-2-yl)benzenesulfonamide
CID 4695267
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide
CID 6543857
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide
CID 824822
N-(3-amino-2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide
CID 73175196
N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-methylbenzenesulfonamide
CID 134861772
N-(3-Aminobicyclo[2.2.1]heptan-2-yl)-4-methylbenzenesulfonamide
CID 139084096
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide
CID 846302
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-fluorobenzenesulfonamide
CID 1232507

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbenzenesulfonamide (CID 2972062) is N-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbenzenesulfonamide is CSc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbenzenesulfonamide?
The InChIKey is SGAMUWPYXPKUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S2/c1-18-12-4-6-13(7-5-12)19(16,17)15-14-9-10-2-3-11(14)8-10/h4-7,10-11,14-15H,2-3,8-9H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbenzenesulfonamide?
N-(2-bicyclo[2.2.1]heptanyl)-4-methylsulfanylbenzenesulfonamide has a molecular weight of 297.44 g/mol, XLogP of 2.88, 4 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-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 2972062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).