5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluorobenzenesulfonamide

C15H21FN2O2S — CID 43255512

IUPAC5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(N)ccc1F)C1CC2CCC1C2
InChIInChI=1S/C15H21FN2O2S/c1-9(13-7-10-2-3-11(13)6-10)18-21(19,20)15-8-12(17)4-5-14(15)16/h4-5,8-11,13,18H,2-3,6-7,17H2,1H3
InChIKeyRVYSCQIBNBMKCG-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.51
Rot. Bonds4

About 5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluorobenzenesulfonamide

5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluorobenzenesulfonamide (PubChem CID 43255512) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluorobenzenesulfonamide
PubChem CID43255512
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC Name5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(N)ccc1F)C1CC2CCC1C2
InChIInChI=1S/C15H21FN2O2S/c1-9(13-7-10-2-3-11(13)6-10)18-21(19,20)15-8-12(17)4-5-14(15)16/h4-5,8-11,13,18H,2-3,6-7,17H2,1H3
InChIKeyRVYSCQIBNBMKCG-UHFFFAOYSA-N
XLogP2.51
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98148800
4-amino-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98055018
3-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxybenzenesulfonamide
CID 43100175
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methoxybenzenesulfonamide
CID 4833444
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methoxybenzenesulfonamide
CID 98607130
5-(aminomethyl)-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methylthiophene-3-sulfonamide
CID 106059671
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methylbenzenesulfonamide
CID 98371302
6-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]pyridine-3-sulfonamide
CID 62148889
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 19681517
5-[1-(2-bicyclo[2.2.1]heptanyl)ethylsulfamoyl]furan-2-carboxylic acid
CID 43149868
5-amino-N-butan-2-yl-2-fluorobenzenesulfonamide
CID 43255365
3-acetyl-N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]benzenesulfonamide
CID 98348707

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluorobenzenesulfonamide (CID 43255512) is 5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluorobenzenesulfonamide is CC(NS(=O)(=O)c1cc(N)ccc1F)C1CC2CCC1C2.
What is the InChIKey of 5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluorobenzenesulfonamide?
The InChIKey is RVYSCQIBNBMKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c1-9(13-7-10-2-3-11(13)6-10)18-21(19,20)15-8-12(17)4-5-14(15)16/h4-5,8-11,13,18H,2-3,6-7,17H2,1H3.
What are the key properties of 5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluorobenzenesulfonamide?
5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluorobenzenesulfonamide has a molecular weight of 312.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 43255512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).