5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

C9H12F2N2O3S — CID 65023425

IUPAC5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCN(CCO)S(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C9H12F2N2O3S/c1-13(2-3-14)17(15,16)8-5-6(12)4-7(10)9(8)11/h4-5,14H,2-3,12H2,1H3
InChIKeyLAJPARLTFOAIIY-UHFFFAOYSA-N
MW266.27 g/mol
LogP0.16
Rot. Bonds4

About 5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (PubChem CID 65023425) has the molecular formula C9H12F2N2O3S and a molecular weight of 266.27 g/mol. Its IUPAC name is 5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
PubChem CID65023425
Molecular FormulaC9H12F2N2O3S
Molecular Weight266.27 g/mol
Exact Mass266.05
IUPAC Name5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCN(CCO)S(=O)(=O)c1cc(N)cc(F)c1F
InChIInChI=1S/C9H12F2N2O3S/c1-13(2-3-14)17(15,16)8-5-6(12)4-7(10)9(8)11/h4-5,14H,2-3,12H2,1H3
InChIKeyLAJPARLTFOAIIY-UHFFFAOYSA-N
XLogP0.16
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.16
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-2,3-difluoro-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 65020963
5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 65020659
ethyl 2-[(5-amino-2,3-difluorophenyl)sulfonyl-methylamino]acetate
CID 65020877
2,3-difluoro-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 105117594
5-amino-N-cyclopentyl-2,3-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 65020823
5-amino-2,3-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
CID 65020928
2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 60986382
5-amino-3-fluoro-N,2-dimethyl-N-propylbenzenesulfonamide
CID 79896365
3-[(5-amino-3-fluoro-2-methylphenyl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913987
4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 43258909
5-amino-N-ethyl-3-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 79896285
4-amino-2-[2-hydroxyethyl(methyl)sulfamoyl]benzoic acid
CID 102930878

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (CID 65023425) is 5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is CN(CCO)S(=O)(=O)c1cc(N)cc(F)c1F.
What is the InChIKey of 5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is LAJPARLTFOAIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O3S/c1-13(2-3-14)17(15,16)8-5-6(12)4-7(10)9(8)11/h4-5,14H,2-3,12H2,1H3.
What are the key properties of 5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 266.27 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 65023425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).