3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide

C8H12FN3O4S2 — CID 63322264

IUPAC3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)NCCS(N)(=O)=O)c1
InChIInChI=1S/C8H12FN3O4S2/c9-6-3-7(10)5-8(4-6)18(15,16)12-1-2-17(11,13)14/h3-5,12H,1-2,10H2,(H2,11,13,14)
InChIKeyDGZJNENXEGSHIO-UHFFFAOYSA-N
MW297.33 g/mol
LogP-1.03
Rot. Bonds5

About 3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide

3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide (PubChem CID 63322264) has the molecular formula C8H12FN3O4S2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide
PubChem CID63322264
Molecular FormulaC8H12FN3O4S2
Molecular Weight297.33 g/mol
Exact Mass297.03
IUPAC Name3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)NCCS(N)(=O)=O)c1
InChIInChI=1S/C8H12FN3O4S2/c9-6-3-7(10)5-8(4-6)18(15,16)12-1-2-17(11,13)14/h3-5,12H,1-2,10H2,(H2,11,13,14)
InChIKeyDGZJNENXEGSHIO-UHFFFAOYSA-N
XLogP-1.03
TPSA132.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333327
3-amino-5-fluoro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63982222
2-[(3-amino-5-fluorophenyl)sulfonylamino]ethyl carbamate
CID 83201880
3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 63322367
3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758401
3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 63322099
3-amino-5-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106006576
3-amino-5-fluoro-N-[2-(1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 63829852
3-amino-N-[2-(cyclohexen-1-yl)ethyl]-5-fluorobenzenesulfonamide
CID 63321878
3-amino-5-fluoro-4-methoxy-N-(2-sulfamoylethyl)benzenesulfonamide
CID 114625133
ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate
CID 63321745
3-amino-N-[(4-cyanophenyl)methyl]-5-fluorobenzenesulfonamide
CID 63322839

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide (CID 63322264) is 3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide is Nc1cc(F)cc(S(=O)(=O)NCCS(N)(=O)=O)c1.
What is the InChIKey of 3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide?
The InChIKey is DGZJNENXEGSHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O4S2/c9-6-3-7(10)5-8(4-6)18(15,16)12-1-2-17(11,13)14/h3-5,12H,1-2,10H2,(H2,11,13,14).
What are the key properties of 3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide?
3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide has a molecular weight of 297.33 g/mol, XLogP of -1.03, 5 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-sulfamoylethyl)benzenesulfonamide is sourced from PubChem (CID 63322264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).