2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-fluoro-N-methylbenzenesulfonamide

C15H21FN2O2S — CID 63689234

IUPAC2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-fluoro-N-methylbenzenesulfonamide
SMILESCN(CC1CC2CCC1C2)S(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C15H21FN2O2S/c1-18(9-12-8-10-5-6-11(12)7-10)21(19,20)15-13(16)3-2-4-14(15)17/h2-4,10-12H,5-9,17H2,1H3
InChIKeyXTLCWSGCGOYHBB-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.46
Rot. Bonds4

About 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-fluoro-N-methylbenzenesulfonamide

2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-fluoro-N-methylbenzenesulfonamide (PubChem CID 63689234) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-fluoro-N-methylbenzenesulfonamide
PubChem CID63689234
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC Name2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-fluoro-N-methylbenzenesulfonamide
SMILESCN(CC1CC2CCC1C2)S(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C15H21FN2O2S/c1-18(9-12-8-10-5-6-11(12)7-10)21(19,20)15-13(16)3-2-4-14(15)17/h2-4,10-12H,5-9,17H2,1H3
InChIKeyXTLCWSGCGOYHBB-UHFFFAOYSA-N
XLogP2.46
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(1-{bicyclo[2.2.1]heptan-2-yl}ethyl)benzene-1-sulfonamide
CID 3835306
2-amino-N-benzyl-N-ethyl-4-fluorobenzenesulfonamide
CID 28983500
2-amino-N-(2,3-dimethylcyclohexyl)-4-fluorobenzenesulfonamide
CID 43103523
3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzenesulfonamide
CID 43105051
2-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-fluorobenzenesulfonamide
CID 43110225
5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluorobenzenesulfonamide
CID 43255512
2-amino-4-fluoro-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 43295505
2-amino-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
CID 43371512
2-amino-4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 43576164
2-(3-Ethylpiperidin-1-yl)sulfonyl-5-fluoroaniline
CID 43584109
2-amino-N-ethyl-N-(2-ethylbutyl)-4-fluorobenzenesulfonamide
CID 43587339
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonyl)-5-fluoroaniline
CID 43620150

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-fluoro-N-methylbenzenesulfonamide (CID 63689234) is 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-fluoro-N-methylbenzenesulfonamide is CN(CC1CC2CCC1C2)S(=O)(=O)c1c(N)cccc1F.
What is the InChIKey of 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-fluoro-N-methylbenzenesulfonamide?
The InChIKey is XTLCWSGCGOYHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c1-18(9-12-8-10-5-6-11(12)7-10)21(19,20)15-13(16)3-2-4-14(15)17/h2-4,10-12H,5-9,17H2,1H3.
What are the key properties of 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-fluoro-N-methylbenzenesulfonamide?
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-fluoro-N-methylbenzenesulfonamide has a molecular weight of 312.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 63689234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).