2-amino-4-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

C9H13FN2O3S — CID 43345897

IUPAC2-amino-4-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C9H13FN2O3S/c1-12(4-5-13)16(14,15)9-3-2-7(10)6-8(9)11/h2-3,6,13H,4-5,11H2,1H3
InChIKeyHGLMKIHZIYAURK-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.02
Rot. Bonds4

About 2-amino-4-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide

2-amino-4-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (PubChem CID 43345897) has the molecular formula C9H13FN2O3S and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
PubChem CID43345897
Molecular FormulaC9H13FN2O3S
Molecular Weight248.28 g/mol
Exact Mass248.06
IUPAC Name2-amino-4-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
SMILESCN(CCO)S(=O)(=O)c1ccc(F)cc1N
InChIInChI=1S/C9H13FN2O3S/c1-12(4-5-13)16(14,15)9-3-2-7(10)6-8(9)11/h2-3,6,13H,4-5,11H2,1H3
InChIKeyHGLMKIHZIYAURK-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

4-amino-N-(2-hydroxyethyl)benzenesulfonamide
CID 456364
N1,N1-Bis(2-hydroxyethyl)metanilamide
CID 4391
2-(Morpholine-4-sulfonyl)aniline
CID 1132819
2-Amino-N,N-diethylbenzenesulfonamide
CID 12819598
2-amino-N,N-dimethylbenzenesulfonamide
CID 1132818
4-amino-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 756041
4-Amino-n,n-bis(2-hydroxypropyl)benzenesulfonamide
CID 225106
4-Amino-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 256292
4-amino-N-(2-hydroxypropyl)benzenesulfonamide
CID 252536
2-amino-N-(2-hydroxyethyl)benzenesulfonamide
CID 458781
3-amino-N-(2-hydroxyethyl)benzenesulfonamide
CID 458782
2-amino-N-ethyl-5-fluorobenzene-1-sulfonamide
CID 9899292

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide (CID 43345897) is 2-amino-4-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is CN(CCO)S(=O)(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-4-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
The InChIKey is HGLMKIHZIYAURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3S/c1-12(4-5-13)16(14,15)9-3-2-7(10)6-8(9)11/h2-3,6,13H,4-5,11H2,1H3.
What are the key properties of 2-amino-4-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide?
2-amino-4-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-4-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 43345897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).