3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzenesulfonamide

C11H15FN2O2S — CID 116791808

IUPAC3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NC2CC2C)cc1F
InChIInChI=1S/C11H15FN2O2S/c1-6-3-11(6)14-17(15,16)8-4-9(12)7(2)10(13)5-8/h4-6,11,14H,3,13H2,1-2H3
InChIKeyWGAGVHSHZQNOER-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.40
Rot. Bonds3

About 3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzenesulfonamide

3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzenesulfonamide (PubChem CID 116791808) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
PubChem CID116791808
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NC2CC2C)cc1F
InChIInChI=1S/C11H15FN2O2S/c1-6-3-11(6)14-17(15,16)8-4-9(12)7(2)10(13)5-8/h4-6,11,14H,3,13H2,1-2H3
InChIKeyWGAGVHSHZQNOER-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
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

3-amino-5-fluoro-4-methyl-N-(2-methylcycloheptyl)benzenesulfonamide
CID 116791968
3-amino-5-fluoro-4-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 116792031
3-amino-N-(2,2-dimethylcyclopropyl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791780
3-amino-2,5,6-trimethyl-N-(2-methylcyclopropyl)benzenesulfonamide
CID 106504779
3-amino-5-fluoro-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106250336
3-amino-5-fluoro-4-methyl-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 116791797
3-amino-4-fluoro-5-methyl-N-(2-methylcycloheptyl)benzenesulfonamide
CID 115421698
3-amino-N-(1-cyclopropylpropan-2-yl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791897
3-amino-N-butyl-5-fluoro-4-methylbenzenesulfonamide
CID 116791407
3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide
CID 62396682
3-amino-5-fluoro-4-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333363
3-amino-5-fluoro-4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 116792346

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzenesulfonamide (CID 116791808) is 3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzenesulfonamide is Cc1c(N)cc(S(=O)(=O)NC2CC2C)cc1F.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzenesulfonamide?
The InChIKey is WGAGVHSHZQNOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-6-3-11(6)14-17(15,16)8-4-9(12)7(2)10(13)5-8/h4-6,11,14H,3,13H2,1-2H3.
What are the key properties of 3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzenesulfonamide?
3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzenesulfonamide has a molecular weight of 258.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 116791808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).