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

C9H14FN3O4S2 — CID 106333327

IUPAC3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)CCNS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C9H14FN3O4S2/c1-12-18(14,15)3-2-13-19(16,17)9-5-7(10)4-8(11)6-9/h4-6,12-13H,2-3,11H2,1H3
InChIKeyMGWTXAANPIKDKS-UHFFFAOYSA-N
MW311.36 g/mol
LogP-0.76
Rot. Bonds6

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

3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide (PubChem CID 106333327) has the molecular formula C9H14FN3O4S2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
PubChem CID106333327
Molecular FormulaC9H14FN3O4S2
Molecular Weight311.36 g/mol
Exact Mass311.04
IUPAC Name3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)CCNS(=O)(=O)c1cc(N)cc(F)c1
InChIInChI=1S/C9H14FN3O4S2/c1-12-18(14,15)3-2-13-19(16,17)9-5-7(10)4-8(11)6-9/h4-6,12-13H,2-3,11H2,1H3
InChIKeyMGWTXAANPIKDKS-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'}

Analyze 3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-fluoro-N-(2-sulfamoylethyl)benzenesulfonamide
CID 63322264
3-amino-5-fluoro-4-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333363
3-amino-5-fluoro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63982222
3-amino-4-fluoro-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333389
3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758401
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-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106006576
5-amino-2-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333323
3-amino-N-[2-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 63322099
ethyl 2-[(3-amino-5-fluorophenyl)sulfonylamino]acetate
CID 63321745
1-(3-amino-5-fluorophenyl)sulfonyl-3-methylurea
CID 116646026

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide (CID 106333327) is 3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide is CNS(=O)(=O)CCNS(=O)(=O)c1cc(N)cc(F)c1.
What is the InChIKey of 3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
The InChIKey is MGWTXAANPIKDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O4S2/c1-12-18(14,15)3-2-13-19(16,17)9-5-7(10)4-8(11)6-9/h4-6,12-13H,2-3,11H2,1H3.
What are the key properties of 3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
3-amino-5-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 3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106333327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).