3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide

C11H17FN2O3S — CID 104758401

IUPAC3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCC(C)OCCNS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C11H17FN2O3S/c1-8(2)17-4-3-14-18(15,16)11-6-9(12)5-10(13)7-11/h5-8,14H,3-4,13H2,1-2H3
InChIKeyOKEGFZPZPOOLRP-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.11
Rot. Bonds6

About 3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide

3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide (PubChem CID 104758401) has the molecular formula C11H17FN2O3S and a molecular weight of 276.33 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
PubChem CID104758401
Molecular FormulaC11H17FN2O3S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCC(C)OCCNS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C11H17FN2O3S/c1-8(2)17-4-3-14-18(15,16)11-6-9(12)5-10(13)7-11/h5-8,14H,3-4,13H2,1-2H3
InChIKeyOKEGFZPZPOOLRP-UHFFFAOYSA-N
XLogP1.11
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-5-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106006576
2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate
CID 83201880
4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110418282
3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 63322367
3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333327
3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 63322264
2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758427
3-amino-5-fluoro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63982222
4-fluoro-3-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077620
3-amino-5-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 66092430
4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 113431383
3,5-difluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912060

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide (CID 104758401) is 3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide is CC(C)OCCNS(=O)(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The InChIKey is OKEGFZPZPOOLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3S/c1-8(2)17-4-3-14-18(15,16)11-6-9(12)5-10(13)7-11/h5-8,14H,3-4,13H2,1-2H3.
What are the key properties of 3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide has a molecular weight of 276.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 104758401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).