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

C10H15FN2O4S — CID 63322367

IUPAC3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)NCCOCCO)c1
InChIInChI=1S/C10H15FN2O4S/c11-8-5-9(12)7-10(6-8)18(15,16)13-1-3-17-4-2-14/h5-7,13-14H,1-4,12H2
InChIKeyFAIXCRISWJMOQR-UHFFFAOYSA-N
MW278.30 g/mol
LogP-0.30
Rot. Bonds7

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

3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide (PubChem CID 63322367) has the molecular formula C10H15FN2O4S and a molecular weight of 278.30 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
PubChem CID63322367
Molecular FormulaC10H15FN2O4S
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC Name3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)NCCOCCO)c1
InChIInChI=1S/C10H15FN2O4S/c11-8-5-9(12)7-10(6-8)18(15,16)13-1-3-17-4-2-14/h5-7,13-14H,1-4,12H2
InChIKeyFAIXCRISWJMOQR-UHFFFAOYSA-N
XLogP-0.30
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 5-0.30
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

2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate
CID 83201880
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 61248662
3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758401
3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-4-methylbenzenesulfonamide
CID 116791811
3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 63322264
3-amino-N-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethylbenzenesulfonamide
CID 62499253
3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333327
ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate
CID 63321745
3-amino-5-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106006576
3-amino-5-fluoro-N-(4-hydroxy-2-methylbutyl)benzenesulfonamide
CID 66092430
3-amino-4-fluoro-N-[3-(2-hydroxyethoxy)propyl]-5-methylbenzenesulfonamide
CID 106308683
3-N-[2-(2-hydroxyethoxy)ethyl]benzene-1,3-disulfonamide
CID 62497976

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide (CID 63322367) is 3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide is Nc1cc(F)cc(S(=O)(=O)NCCOCCO)c1.
What is the InChIKey of 3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide?
The InChIKey is FAIXCRISWJMOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O4S/c11-8-5-9(12)7-10(6-8)18(15,16)13-1-3-17-4-2-14/h5-7,13-14H,1-4,12H2.
What are the key properties of 3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide?
3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide has a molecular weight of 278.30 g/mol, XLogP of -0.30, 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]benzenesulfonamide is sourced from PubChem (CID 63322367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).