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

C14H19NO2S — CID 573551

IUPACN-(2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1
InChIInChI=1S/C14H19NO2S/c1-10-2-6-13(7-3-10)18(16,17)15-14-9-11-4-5-12(14)8-11/h2-3,6-7,11-12,14-15H,4-5,8-9H2,1H3
InChIKeyLLFRVFUBIFHUHF-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.46
Rot. Bonds3

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

N-(2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide (PubChem CID 573551) has the molecular formula C14H19NO2S and a molecular weight of 265.38 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide
PubChem CID573551
Molecular FormulaC14H19NO2S
Molecular Weight265.38 g/mol
Exact Mass265.11
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1
InChIInChI=1S/C14H19NO2S/c1-10-2-6-13(7-3-10)18(16,17)15-14-9-11-4-5-12(14)8-11/h2-3,6-7,11-12,14-15H,4-5,8-9H2,1H3
InChIKeyLLFRVFUBIFHUHF-UHFFFAOYSA-N
XLogP2.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Cyclohexyl-4-methylbenzenesulfonamide
CID 6633
(2-Cyclohex-1-enylethyl)[(4-methylphenyl)sulfonyl]amine
CID 737669
N-cycloheptyl-4-methylbenzenesulfonamide
CID 668969
Cyclopentyl{[4-(methylethyl)phenyl]sulfonyl}amine
CID 6469335
4-methyl-N-pentan-2-ylbenzenesulfonamide
CID 3703019
N-Bicyclo[2.2.1]hept-2-yl-4-bromo-benzenesulfonamide
CID 2892422
N-(3-bicyclo[2.2.1]heptanyl)-4-chlorobenzenesulfonamide
CID 2894402
N-bicyclo[2.2.1]hept-2-yl-2,4,6-trimethylbenzenesulfonamide
CID 2948243
4-methyl-N-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)benzenesulfonamide
CID 9840950
p-Toluenesulfonamide, N-2-bornyl-, endo-(+-)-
CID 212648
p-Toluenesulfonamide, N-sec-butyl-
CID 211876
N-cyclopentyl-4-methylbenzene-1-sulfonamide
CID 668752

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide (CID 573551) is N-(2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide?
The InChIKey is LLFRVFUBIFHUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2S/c1-10-2-6-13(7-3-10)18(16,17)15-14-9-11-4-5-12(14)8-11/h2-3,6-7,11-12,14-15H,4-5,8-9H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide?
N-(2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide has a molecular weight of 265.38 g/mol, XLogP of 2.46, 3 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]heptanyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 573551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).