N-(3-amino-2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide

C14H20N2O2S — CID 73175196

IUPACN-(3-amino-2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2C3CCC(C3)C2N)cc1
InChIInChI=1S/C14H20N2O2S/c1-9-2-6-12(7-3-9)19(17,18)16-14-11-5-4-10(8-11)13(14)15/h2-3,6-7,10-11,13-14,16H,4-5,8,15H2,1H3
InChIKeyOTIFVHALJDQGPN-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.40
Rot. Bonds3

About N-(3-amino-2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide

N-(3-amino-2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide (PubChem CID 73175196) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(3-amino-2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide
PubChem CID73175196
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-(3-amino-2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2C3CCC(C3)C2N)cc1
InChIInChI=1S/C14H20N2O2S/c1-9-2-6-12(7-3-9)19(17,18)16-14-11-5-4-10(8-11)13(14)15/h2-3,6-7,10-11,13-14,16H,4-5,8,15H2,1H3
InChIKeyOTIFVHALJDQGPN-UHFFFAOYSA-N
XLogP1.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Cyclohexyl-4-methylbenzenesulfonamide
CID 6633
N-bicyclo[2.2.1]hept-2-yl-2,4,6-trimethylbenzenesulfonamide
CID 2948243
N-Bicyclo[2.2.1]hept-2-yl-4-methylbenzenesulfonamide
CID 573551
p-Toluenesulfonamide, N-2-bornyl-, endo-(+-)-
CID 212648
N-cyclopentyl-4-methylbenzene-1-sulfonamide
CID 668752
N-bicyclo[2.2.1]hept-2-yl-4-(methylthio)benzenesulfonamide
CID 2972062
N-[(1R,2R)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide
CID 10491871
((1R,2R)-2-aminocyclohexyl)((4-methylphenyl)sulphonyl)amine
CID 10506628
4-Bicyclo[2.2.1]hept-2-yl-1-[(4-methylphenyl)sulfonyl]piperazine
CID 2881652
N-bicyclo[2.2.1]hept-2-yl-4-fluorobenzenesulfonamide
CID 2893042
N-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-N-fluoro-4-methylbenzenesulfonamide
CID 13222559
N-(cyclohexylmethyl)-4-methylbenzenesulfonamide
CID 4056009

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide (CID 73175196) is N-(3-amino-2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2C3CCC(C3)C2N)cc1.
What is the InChIKey of N-(3-amino-2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide?
The InChIKey is OTIFVHALJDQGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9-2-6-12(7-3-9)19(17,18)16-14-11-5-4-10(8-11)13(14)15/h2-3,6-7,10-11,13-14,16H,4-5,8,15H2,1H3.
What are the key properties of N-(3-amino-2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide?
N-(3-amino-2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-bicyclo[2.2.1]heptanyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 73175196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).