5-amino-4-fluoro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide

C11H15FN2O2S — CID 114615093

IUPAC5-amino-4-fluoro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1cc(N)c(F)cc1C
InChIInChI=1S/C11H15FN2O2S/c1-7(2)6-14-17(15,16)11-5-10(13)9(12)4-8(11)3/h4-5,14H,1,6,13H2,2-3H3
InChIKeyMQBMDMIBJSUJDM-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.57
Rot. Bonds4

About 5-amino-4-fluoro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide

5-amino-4-fluoro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 114615093) has the molecular formula C11H15FN2O2S and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-amino-4-fluoro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-fluoro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID114615093
Molecular FormulaC11H15FN2O2S
Molecular Weight258.32 g/mol
Exact Mass258.08
IUPAC Name5-amino-4-fluoro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1cc(N)c(F)cc1C
InChIInChI=1S/C11H15FN2O2S/c1-7(2)6-14-17(15,16)11-5-10(13)9(12)4-8(11)3/h4-5,14H,1,6,13H2,2-3H3
InChIKeyMQBMDMIBJSUJDM-UHFFFAOYSA-N
XLogP1.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
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

4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616407
5-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 106165792
3-[(5-amino-4-fluoro-2-methylphenyl)sulfonylamino]-N,2,2-trimethylpropanamide
CID 106275009
4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 107326601
3-amino-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615116
4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616583
4-fluoro-3-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 114615373
5-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 106033916
2-amino-6-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114615118
5-cyano-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616340
5-amino-2,4-difluoro-N-prop-2-enylbenzenesulfonamide
CID 61112133
5-amino-2,4-difluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65103582

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-fluoro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 5-amino-4-fluoro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 114615093) is 5-amino-4-fluoro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-4-fluoro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 5-amino-4-fluoro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CNS(=O)(=O)c1cc(N)c(F)cc1C.
What is the InChIKey of 5-amino-4-fluoro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is MQBMDMIBJSUJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2S/c1-7(2)6-14-17(15,16)11-5-10(13)9(12)4-8(11)3/h4-5,14H,1,6,13H2,2-3H3.
What are the key properties of 5-amino-4-fluoro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide?
5-amino-4-fluoro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 258.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-fluoro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 114615093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).