2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

C9H13FN2O3S — CID 60986382

IUPAC2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCN(CCO)S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C9H13FN2O3S/c1-12(4-5-13)16(14,15)9-6-7(10)2-3-8(9)11/h2-3,6,13H,4-5,11H2,1H3
InChIKeyBAUUMCDEKLCGKU-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.02
Rot. Bonds4

About 2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (PubChem CID 60986382) has the molecular formula C9H13FN2O3S and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
PubChem CID60986382
Molecular FormulaC9H13FN2O3S
Molecular Weight248.28 g/mol
Exact Mass248.06
IUPAC Name2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCN(CCO)S(=O)(=O)c1cc(F)ccc1N
InChIInChI=1S/C9H13FN2O3S/c1-12(4-5-13)16(14,15)9-6-7(10)2-3-8(9)11/h2-3,6,13H,4-5,11H2,1H3
InChIKeyBAUUMCDEKLCGKU-UHFFFAOYSA-N
XLogP0.02
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.02
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

2-amino-N-[2-(dimethylamino)ethyl]-5-fluoro-N-methylbenzenesulfonamide
CID 55226364
2-amino-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81052971
2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107197608
methyl 3-[(2-amino-5-fluorophenyl)sulfonyl-methylamino]-2-methylpropanoate
CID 61140729
5-amino-2,3-difluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 65023425
2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43258905
2-amino-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 79849981
2-amino-5-fluoro-N-propyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 61106619
2-amino-5-fluoro-N-(4-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733378
2-[(2-amino-5-fluorophenyl)sulfonyl-(2-amino-2-oxoethyl)amino]acetamide
CID 62921884
4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 43258909
4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 116527699

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (CID 60986382) is 2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is CN(CCO)S(=O)(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is BAUUMCDEKLCGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3S/c1-12(4-5-13)16(14,15)9-6-7(10)2-3-8(9)11/h2-3,6,13H,4-5,11H2,1H3.
What are the key properties of 2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide has a molecular weight of 248.28 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 60986382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).