N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-fluoro-2-methylbenzenesulfonamide

C12H15FN2O2S — CID 43597451

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC1C2CNCC21
InChIInChI=1S/C12H15FN2O2S/c1-7-4-8(13)2-3-11(7)18(16,17)15-12-9-5-14-6-10(9)12/h2-4,9-10,12,14-15H,5-6H2,1H3
InChIKeyDYNQENPODCKJSS-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.63
Rot. Bonds3

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-fluoro-2-methylbenzenesulfonamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 43597451) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-4-fluoro-2-methylbenzenesulfonamide
PubChem CID43597451
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC1C2CNCC21
InChIInChI=1S/C12H15FN2O2S/c1-7-4-8(13)2-3-11(7)18(16,17)15-12-9-5-14-6-10(9)12/h2-4,9-10,12,14-15H,5-6H2,1H3
InChIKeyDYNQENPODCKJSS-UHFFFAOYSA-N
XLogP0.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 28810997
4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 124516981
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2-bromo-4-methylbenzenesulfonamide
CID 43597330
4-fluoro-N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-methylbenzenesulfonamide
CID 91794281
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-fluoro-2-methylbenzenesulfonamide
CID 100690195
2,4-difluoro-N-(4-methylpyrrolidin-3-yl)benzenesulfonamide
CID 104826055
N-(1-cyclopentylpiperidin-4-yl)-4-fluoro-2-methylbenzenesulfonamide
CID 110752098
N-(2-adamantyl)-5-fluoro-2-methylbenzenesulfonamide
CID 112823935
4-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 54923408
N-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]-3-azabicyclo[3.1.0]hexan-6-amine
CID 62893012
2-bromo-4-fluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]benzenesulfonamide
CID 61142760
4-fluoro-N-(4-iodobutyl)-2-methylbenzenesulfonamide
CID 106846623

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-fluoro-2-methylbenzenesulfonamide (CID 43597451) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NC1C2CNCC21.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is DYNQENPODCKJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c1-7-4-8(13)2-3-11(7)18(16,17)15-12-9-5-14-6-10(9)12/h2-4,9-10,12,14-15H,5-6H2,1H3.
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-fluoro-2-methylbenzenesulfonamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 270.33 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 43597451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).