2-amino-6-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide

C11H15FN2O2S — CID 113498561

IUPAC2-amino-6-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(C)S(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C11H15FN2O2S/c1-8(2)7-14(3)17(15,16)11-9(12)5-4-6-10(11)13/h4-6H,1,7,13H2,2-3H3
InChIKeyGWFBVBXCCMUTSM-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.60
Rot. Bonds4

About 2-amino-6-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide

2-amino-6-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 113498561) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID113498561
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name2-amino-6-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CN(C)S(=O)(=O)c1c(N)cccc1F
InChIInChI=1S/C11H15FN2O2S/c1-8(2)7-14(3)17(15,16)11-9(12)5-4-6-10(11)13/h4-6H,1,7,13H2,2-3H3
InChIKeyGWFBVBXCCMUTSM-UHFFFAOYSA-N
XLogP1.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,6-difluorophenyl)sulfonyl-methylamino]acetic acid
CID 43237883
2-amino-6-fluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 63206519
2-amino-6-fluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64512147
3-amino-5-fluoro-4-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114626217
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-6-fluoro-N-methylbenzenesulfonamide
CID 63689234
2-amino-6-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934446
N-[(2-aminophenyl)methyl]-2-chloro-6-fluoro-N-methylbenzenesulfonamide
CID 86794996
5-amino-2-ethyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113498553
4-fluoro-3-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 99790503
3-fluoro-2-propan-2-ylsulfonylaniline
CID 130526460
2-amino-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102859154
2-amino-N-(2-hydroxypropyl)-N,6-dimethylbenzenesulfonamide
CID 62335547

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 2-amino-6-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 113498561) is 2-amino-6-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CN(C)S(=O)(=O)c1c(N)cccc1F.
What is the InChIKey of 2-amino-6-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is GWFBVBXCCMUTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-8(2)7-14(3)17(15,16)11-9(12)5-4-6-10(11)13/h4-6H,1,7,13H2,2-3H3.
What are the key properties of 2-amino-6-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
2-amino-6-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 258.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 113498561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).