5-amino-3-fluoro-N-methoxy-N,2-dimethylbenzenesulfonamide

C9H13FN2O3S — CID 79896813

IUPAC5-amino-3-fluoro-N-methoxy-N,2-dimethylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1cc(N)cc(F)c1C
InChIInChI=1S/C9H13FN2O3S/c1-6-8(10)4-7(11)5-9(6)16(13,14)12(2)15-3/h4-5H,11H2,1-3H3
InChIKeyWLGCRMHPTZORLY-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.90
Rot. Bonds3

About 5-amino-3-fluoro-N-methoxy-N,2-dimethylbenzenesulfonamide

5-amino-3-fluoro-N-methoxy-N,2-dimethylbenzenesulfonamide (PubChem CID 79896813) has the molecular formula C9H13FN2O3S and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-amino-3-fluoro-N-methoxy-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-fluoro-N-methoxy-N,2-dimethylbenzenesulfonamide
PubChem CID79896813
Molecular FormulaC9H13FN2O3S
Molecular Weight248.28 g/mol
Exact Mass248.06
IUPAC Name5-amino-3-fluoro-N-methoxy-N,2-dimethylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1cc(N)cc(F)c1C
InChIInChI=1S/C9H13FN2O3S/c1-6-8(10)4-7(11)5-9(6)16(13,14)12(2)15-3/h4-5H,11H2,1-3H3
InChIKeyWLGCRMHPTZORLY-UHFFFAOYSA-N
XLogP0.90
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide
CID 60985983
5-amino-3-fluoro-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 79896031
5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide
CID 79896365
5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide
CID 104551016
5-amino-N-ethyl-3-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 79896285
5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79897066
methyl 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-propylamino]acetate
CID 79899489
3-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913987
5-amino-N-[(4-bromothiophen-2-yl)methyl]-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79899809
5-amino-3-fluoro-N-(2-hydroxyethyl)-2-methyl-N-propylbenzenesulfonamide
CID 79897254
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101051
2-fluoro-N-methoxy-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 61051748

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-fluoro-N-methoxy-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-3-fluoro-N-methoxy-N,2-dimethylbenzenesulfonamide (CID 79896813) is 5-amino-3-fluoro-N-methoxy-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-fluoro-N-methoxy-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-fluoro-N-methoxy-N,2-dimethylbenzenesulfonamide is CON(C)S(=O)(=O)c1cc(N)cc(F)c1C.
What is the InChIKey of 5-amino-3-fluoro-N-methoxy-N,2-dimethylbenzenesulfonamide?
The InChIKey is WLGCRMHPTZORLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3S/c1-6-8(10)4-7(11)5-9(6)16(13,14)12(2)15-3/h4-5H,11H2,1-3H3.
What are the key properties of 5-amino-3-fluoro-N-methoxy-N,2-dimethylbenzenesulfonamide?
5-amino-3-fluoro-N-methoxy-N,2-dimethylbenzenesulfonamide has a molecular weight of 248.28 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-fluoro-N-methoxy-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 79896813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).