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

C9H14FN3O4S2 — CID 106333323

IUPAC5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)CCNS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C9H14FN3O4S2/c1-12-18(14,15)5-4-13-19(16,17)9-6-7(11)2-3-8(9)10/h2-3,6,12-13H,4-5,11H2,1H3
InChIKeyCUEMKQMVDFPMTE-UHFFFAOYSA-N
MW311.36 g/mol
LogP-0.76
Rot. Bonds6

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

5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide (PubChem CID 106333323) has the molecular formula C9H14FN3O4S2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
PubChem CID106333323
Molecular FormulaC9H14FN3O4S2
Molecular Weight311.36 g/mol
Exact Mass311.04
IUPAC Name5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)CCNS(=O)(=O)c1cc(N)ccc1F
InChIInChI=1S/C9H14FN3O4S2/c1-12-18(14,15)5-4-13-19(16,17)9-6-7(11)2-3-8(9)10/h2-3,6,12-13H,4-5,11H2,1H3
InChIKeyCUEMKQMVDFPMTE-UHFFFAOYSA-N
XLogP-0.76
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-0.76
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

5-amino-2-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64928220
methyl 3-[(5-amino-2-fluorophenyl)sulfonylamino]propanoate
CID 43665947
2-(4-amino-2-fluoroanilino)-N-methylethanesulfonamide
CID 106334008
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706
5-amino-2-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 114464982
5-amino-2-fluoro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 79756333
5-amino-2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79552160
2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333410
5-amino-2-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 54936764
3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333327
2-fluoro-5-methylsulfonyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 60918249
5-amino-2-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333529

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide (CID 106333323) is 5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide is CNS(=O)(=O)CCNS(=O)(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
The InChIKey is CUEMKQMVDFPMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O4S2/c1-12-18(14,15)5-4-13-19(16,17)9-6-7(11)2-3-8(9)10/h2-3,6,12-13H,4-5,11H2,1H3.
What are the key properties of 5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide has a molecular weight of 311.36 g/mol, XLogP of -0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106333323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).