2-amino-6-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide

C11H15FN2O2S — CID 113485262

IUPAC2-amino-6-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2c(N)cccc2F)CCC1
InChIInChI=1S/C11H15FN2O2S/c1-11(6-3-7-11)14-17(15,16)10-8(12)4-2-5-9(10)13/h2,4-5,14H,3,6-7,13H2,1H3
InChIKeyLWDRXXYIVZVODT-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.63
Rot. Bonds3

About 2-amino-6-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide

2-amino-6-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide (PubChem CID 113485262) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
PubChem CID113485262
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name2-amino-6-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2c(N)cccc2F)CCC1
InChIInChI=1S/C11H15FN2O2S/c1-11(6-3-7-11)14-17(15,16)10-8(12)4-2-5-9(10)13/h2,4-5,14H,3,6-7,13H2,1H3
InChIKeyLWDRXXYIVZVODT-UHFFFAOYSA-N
XLogP1.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.63
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

2-amino-6-fluoro-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80726242
3-fluoro-N-(1-methylcyclobutyl)pyridine-2-sulfonamide
CID 103300453
5-amino-2-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485258
3-amino-N-(1-methylcyclobutyl)pyridine-2-sulfonamide
CID 103307414
2-amino-5-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 61364584
2-amino-4,6-dichloro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485252
2-amino-N-(1-cyclohexylethyl)-6-fluorobenzenesulfonamide
CID 62406259
2-amino-4-methyl-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485273
4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345
2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide
CID 115405345
3-fluoro-2-propan-2-ylsulfonylaniline
CID 130526460
4-amino-N-(1-methylcyclohexyl)benzenesulfonamide
CID 55207677

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide?
The IUPAC name of 2-amino-6-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide (CID 113485262) is 2-amino-6-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide is CC1(NS(=O)(=O)c2c(N)cccc2F)CCC1.
What is the InChIKey of 2-amino-6-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide?
The InChIKey is LWDRXXYIVZVODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-11(6-3-7-11)14-17(15,16)10-8(12)4-2-5-9(10)13/h2,4-5,14H,3,6-7,13H2,1H3.
What are the key properties of 2-amino-6-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide?
2-amino-6-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide has a molecular weight of 258.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide is sourced from PubChem (CID 113485262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).