5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide

C11H17FN2O3S — CID 104551016

IUPAC5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)N(C)C(C)CO
InChIInChI=1S/C11H17FN2O3S/c1-7(6-15)14(3)18(16,17)11-5-9(13)4-10(12)8(11)2/h4-5,7,15H,6,13H2,1-3H3
InChIKeyOFBOQZMANMZKFJ-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.72
Rot. Bonds4

About 5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide

5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide (PubChem CID 104551016) has the molecular formula C11H17FN2O3S and a molecular weight of 276.33 g/mol. Its IUPAC name is 5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide
PubChem CID104551016
Molecular FormulaC11H17FN2O3S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)N(C)C(C)CO
InChIInChI=1S/C11H17FN2O3S/c1-7(6-15)14(3)18(16,17)11-5-9(13)4-10(12)8(11)2/h4-5,7,15H,6,13H2,1-3H3
InChIKeyOFBOQZMANMZKFJ-UHFFFAOYSA-N
XLogP0.72
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-ethyl-3-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 79896285
5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide
CID 79896365
5-amino-3-fluoro-N-(2-hydroxyethyl)-2-methyl-N-propylbenzenesulfonamide
CID 79897254
5-amino-3-fluoro-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 79896031
5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 79896720
5-amino-3-fluoro-N-methoxy-N,2-dimethylbenzenesulfonamide
CID 79896813
2-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-ethylamino]acetamide
CID 103101051
5-amino-2,3-difluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 112656684
3-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913987
2-fluoro-N-(1-hydroxypropan-2-yl)-4,5-dimethoxy-N-methylbenzenesulfonamide
CID 115776375
methyl 2-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-propylamino]acetate
CID 79899489
2-fluoro-5-[1-hydroxypropan-2-yl(methyl)sulfamoyl]benzenecarbothioamide
CID 104551999

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide (CID 104551016) is 5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide is Cc1c(F)cc(N)cc1S(=O)(=O)N(C)C(C)CO.
What is the InChIKey of 5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide?
The InChIKey is OFBOQZMANMZKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3S/c1-7(6-15)14(3)18(16,17)11-5-9(13)4-10(12)8(11)2/h4-5,7,15H,6,13H2,1-3H3.
What are the key properties of 5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide?
5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide has a molecular weight of 276.33 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-fluoro-N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 104551016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).