5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluorobenzenesulfonamide

C15H21FN2O2S — CID 106064052

IUPAC5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluorobenzenesulfonamide
SMILESNCc1ccc(F)c(S(=O)(=O)NCC2CC3CCC2C3)c1
InChIInChI=1S/C15H21FN2O2S/c16-14-4-2-11(8-17)7-15(14)21(19,20)18-9-13-6-10-1-3-12(13)5-10/h2,4,7,10,12-13,18H,1,3,5-6,8-9,17H2
InChIKeyKMIFRBJQDUORPF-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.00
Rot. Bonds5

About 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluorobenzenesulfonamide

5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluorobenzenesulfonamide (PubChem CID 106064052) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluorobenzenesulfonamide
PubChem CID106064052
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC Name5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluorobenzenesulfonamide
SMILESNCc1ccc(F)c(S(=O)(=O)NCC2CC3CCC2C3)c1
InChIInChI=1S/C15H21FN2O2S/c16-14-4-2-11(8-17)7-15(14)21(19,20)18-9-13-6-10-1-3-12(13)5-10/h2,4,7,10,12-13,18H,1,3,5-6,8-9,17H2
InChIKeyKMIFRBJQDUORPF-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 51027081
4-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)thiophene-2-sulfonamide
CID 106064093
4-(2-bicyclo[2.2.1]heptanylmethylsulfamoyl)-5-methylfuran-2-carboxylic acid
CID 63683453
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 63358971
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-bromo-2-chlorobenzenesulfonamide
CID 63686492
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)ethanesulfonamide
CID 63681923
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1H-pyrazole-4-sulfonamide
CID 63689393
5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28716292
5-(aminomethyl)-2-bromo-N-[(2-methylcyclohexyl)methyl]benzenesulfonamide
CID 106018509
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoroaniline
CID 79554094
5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide
CID 106066036
5-(aminomethyl)-N-(4-ethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 106053054

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluorobenzenesulfonamide (CID 106064052) is 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluorobenzenesulfonamide is NCc1ccc(F)c(S(=O)(=O)NCC2CC3CCC2C3)c1.
What is the InChIKey of 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluorobenzenesulfonamide?
The InChIKey is KMIFRBJQDUORPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c16-14-4-2-11(8-17)7-15(14)21(19,20)18-9-13-6-10-1-3-12(13)5-10/h2,4,7,10,12-13,18H,1,3,5-6,8-9,17H2.
What are the key properties of 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluorobenzenesulfonamide?
5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluorobenzenesulfonamide has a molecular weight of 312.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 106064052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).