2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-fluorobenzenesulfonamide

C15H15FN2O2S — CID 61113853

IUPAC2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-fluorobenzenesulfonamide
SMILESNc1ccc(F)cc1S(=O)(=O)NCC1Cc2ccccc21
InChIInChI=1S/C15H15FN2O2S/c16-12-5-6-14(17)15(8-12)21(19,20)18-9-11-7-10-3-1-2-4-13(10)11/h1-6,8,11,18H,7,9,17H2
InChIKeyWLYUNBXRDFEVEK-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.03
Rot. Bonds4

About 2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-fluorobenzenesulfonamide

2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-fluorobenzenesulfonamide (PubChem CID 61113853) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-fluorobenzenesulfonamide
PubChem CID61113853
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-fluorobenzenesulfonamide
SMILESNc1ccc(F)cc1S(=O)(=O)NCC1Cc2ccccc21
InChIInChI=1S/C15H15FN2O2S/c16-12-5-6-14(17)15(8-12)21(19,20)18-9-11-7-10-3-1-2-4-13(10)11/h1-6,8,11,18H,7,9,17H2
InChIKeyWLYUNBXRDFEVEK-UHFFFAOYSA-N
XLogP2.03
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.03
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

1-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-fluorobenzene-1,2-diamine
CID 66396180
4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)pyridine-3-sulfonamide
CID 66407159
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116528153
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,5-dibromobenzenesulfonamide
CID 60824398
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(hydroxymethyl)furan-2-sulfonamide
CID 66409130
3-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-fluorobenzene-1,3-diamine
CID 66396181
2-amino-5-fluoro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 54888363
2-amino-5-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 60985914
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-5-fluorobenzenecarbothioamide
CID 66408888
6-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-chloropyridine-3-sulfonamide
CID 66407160
1-(4-aminophenyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)methanesulfonamide
CID 61115929
1-(3-aminophenyl)-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)methanesulfonamide
CID 61116120

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-fluorobenzenesulfonamide (CID 61113853) is 2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-fluorobenzenesulfonamide is Nc1ccc(F)cc1S(=O)(=O)NCC1Cc2ccccc21.
What is the InChIKey of 2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-fluorobenzenesulfonamide?
The InChIKey is WLYUNBXRDFEVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-12-5-6-14(17)15(8-12)21(19,20)18-9-11-7-10-3-1-2-4-13(10)11/h1-6,8,11,18H,7,9,17H2.
What are the key properties of 2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-fluorobenzenesulfonamide?
2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-fluorobenzenesulfonamide has a molecular weight of 306.36 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 61113853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).