3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzenesulfonamide

C11H17FN2O4S — CID 116791811

IUPAC3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NCCOCCO)cc1F
InChIInChI=1S/C11H17FN2O4S/c1-8-10(12)6-9(7-11(8)13)19(16,17)14-2-4-18-5-3-15/h6-7,14-15H,2-5,13H2,1H3
InChIKeyVTTPGCXJYUOVDW-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.00
Rot. Bonds7

About 3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzenesulfonamide

3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzenesulfonamide (PubChem CID 116791811) has the molecular formula C11H17FN2O4S and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzenesulfonamide
PubChem CID116791811
Molecular FormulaC11H17FN2O4S
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NCCOCCO)cc1F
InChIInChI=1S/C11H17FN2O4S/c1-8-10(12)6-9(7-11(8)13)19(16,17)14-2-4-18-5-3-15/h6-7,14-15H,2-5,13H2,1H3
InChIKeyVTTPGCXJYUOVDW-UHFFFAOYSA-N
XLogP0.00
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethylbenzenesulfonamide
CID 62499253
3-amino-5-fluoro-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzenesulfonamide
CID 116791887
3-amino-N-(2-butoxyethyl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791681
3-amino-5-fluoro-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 116791454
3-amino-N-[3-(2-hydroxyethoxy)propyl]-4,5-dimethylbenzenesulfonamide
CID 106308624
3-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]-N-methylpropanamide
CID 116791774
3-amino-4-fluoro-N-[3-(2-hydroxyethoxy)propyl]-5-methylbenzenesulfonamide
CID 106308683
3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 63322367
3-amino-5-fluoro-4-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333363
3-amino-N-butyl-5-fluoro-4-methylbenzenesulfonamide
CID 116791407
N-[2-[(3-amino-5-fluoro-4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 116791512
3-amino-5-fluoro-N-hexyl-4-methylbenzenesulfonamide
CID 116791617

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzenesulfonamide (CID 116791811) is 3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzenesulfonamide is Cc1c(N)cc(S(=O)(=O)NCCOCCO)cc1F.
What is the InChIKey of 3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is VTTPGCXJYUOVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O4S/c1-8-10(12)6-9(7-11(8)13)19(16,17)14-2-4-18-5-3-15/h6-7,14-15H,2-5,13H2,1H3.
What are the key properties of 3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzenesulfonamide?
3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 292.33 g/mol, XLogP of 0.00, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 116791811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).