5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide

C11H17FN2O4S — CID 54993704

IUPAC5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H17FN2O4S/c1-14(6-9(15)7-18-2)19(16,17)11-5-8(13)3-4-10(11)12/h3-5,9,15H,6-7,13H2,1-2H3
InChIKeySHOWUIHIJNYSAF-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.04
Rot. Bonds6

About 5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide

5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide (PubChem CID 54993704) has the molecular formula C11H17FN2O4S and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
PubChem CID54993704
Molecular FormulaC11H17FN2O4S
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C11H17FN2O4S/c1-14(6-9(15)7-18-2)19(16,17)11-5-8(13)3-4-10(11)12/h3-5,9,15H,6-7,13H2,1-2H3
InChIKeySHOWUIHIJNYSAF-UHFFFAOYSA-N
XLogP0.04
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide (CID 54993704) is 5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide is COCC(O)CN(C)S(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide?
The InChIKey is SHOWUIHIJNYSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O4S/c1-14(6-9(15)7-18-2)19(16,17)11-5-8(13)3-4-10(11)12/h3-5,9,15H,6-7,13H2,1-2H3.
What are the key properties of 5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide?
5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide has a molecular weight of 292.33 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 54993704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).