3-amino-4-fluoro-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide

C10H16FN3O4S2 — CID 106333389

IUPAC3-amino-4-fluoro-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)CCNS(=O)(=O)c1cc(C)c(F)c(N)c1
InChIInChI=1S/C10H16FN3O4S2/c1-7-5-8(6-9(12)10(7)11)20(17,18)14-3-4-19(15,16)13-2/h5-6,13-14H,3-4,12H2,1-2H3
InChIKeyDJDOUPXAXMKYTL-UHFFFAOYSA-N
MW325.39 g/mol
LogP-0.46
Rot. Bonds6

About 3-amino-4-fluoro-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide

3-amino-4-fluoro-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide (PubChem CID 106333389) has the molecular formula C10H16FN3O4S2 and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-amino-4-fluoro-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
PubChem CID106333389
Molecular FormulaC10H16FN3O4S2
Molecular Weight325.39 g/mol
Exact Mass325.06
IUPAC Name3-amino-4-fluoro-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)CCNS(=O)(=O)c1cc(C)c(F)c(N)c1
InChIInChI=1S/C10H16FN3O4S2/c1-7-5-8(6-9(12)10(7)11)20(17,18)14-3-4-19(15,16)13-2/h5-6,13-14H,3-4,12H2,1-2H3
InChIKeyDJDOUPXAXMKYTL-UHFFFAOYSA-N
XLogP-0.46
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 5-0.46
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-4-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333363
3-amino-N-[2-(dimethylamino)ethyl]-4-fluoro-5-methylbenzenesulfonamide
CID 113306253
3-amino-N-[2-(diethylamino)ethyl]-4-fluoro-5-methylbenzenesulfonamide
CID 115421066
3-amino-4-fluoro-5-methyl-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 115515200
3-amino-5-fluoro-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333327
3-amino-N-(2,2-dimethylpropyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421409
3-[(3-amino-4-fluoro-5-methylphenyl)sulfonylamino]-N-propylpropanamide
CID 115421509
3-amino-4-fluoro-N-[3-(2-hydroxyethoxy)propyl]-5-methylbenzenesulfonamide
CID 106308683
3-amino-4-fluoro-5-methyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 115421303
3-amino-4-fluoro-5-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 115421550
3-amino-N-(cyclobutylmethyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421211
N-(3-aminobutyl)-4-fluoro-3,5-dimethylbenzenesulfonamide
CID 119972485

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide (CID 106333389) is 3-amino-4-fluoro-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide is CNS(=O)(=O)CCNS(=O)(=O)c1cc(C)c(F)c(N)c1.
What is the InChIKey of 3-amino-4-fluoro-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
The InChIKey is DJDOUPXAXMKYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O4S2/c1-7-5-8(6-9(12)10(7)11)20(17,18)14-3-4-19(15,16)13-2/h5-6,13-14H,3-4,12H2,1-2H3.
What are the key properties of 3-amino-4-fluoro-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide?
3-amino-4-fluoro-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of -0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-5-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106333389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).