2-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylethanesulfonamide

C10H15BrFN3O2S — CID 106334547

IUPAC2-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1cc(F)c(Br)cc1N
InChIInChI=1S/C10H15BrFN3O2S/c1-15(2)18(16,17)4-3-14-10-6-8(12)7(11)5-9(10)13/h5-6,14H,3-4,13H2,1-2H3
InChIKeyVZKQJZQVCWDOFV-UHFFFAOYSA-N
MW340.22 g/mol
LogP1.47
Rot. Bonds5

About 2-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylethanesulfonamide

2-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylethanesulfonamide (PubChem CID 106334547) has the molecular formula C10H15BrFN3O2S and a molecular weight of 340.22 g/mol. Its IUPAC name is 2-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylethanesulfonamide
PubChem CID106334547
Molecular FormulaC10H15BrFN3O2S
Molecular Weight340.22 g/mol
Exact Mass339.01
IUPAC Name2-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CCNc1cc(F)c(Br)cc1N
InChIInChI=1S/C10H15BrFN3O2S/c1-15(2)18(16,17)4-3-14-10-6-8(12)7(11)5-9(10)13/h5-6,14H,3-4,13H2,1-2H3
InChIKeyVZKQJZQVCWDOFV-UHFFFAOYSA-N
XLogP1.47
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-4-fluoro-2-nitroanilino)-N,N-dimethylethanesulfonamide
CID 106338797
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-N,N-dimethylethanesulfonamide
CID 106334507
3-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylpropanamide
CID 66110342
4-bromo-2,5-difluoro-N-(2-methylsulfonylethyl)aniline
CID 107611077
4-bromo-1-N-[2-(diethylamino)ethyl]-5-fluorobenzene-1,2-diamine
CID 66111855
5-(2-amino-4-bromo-5-fluoroanilino)pentan-2-ol
CID 106119811
4-bromo-5-fluoro-1-N-(7-methyloctyl)benzene-1,2-diamine
CID 107814758
4-bromo-1-N-(3-ethoxypropyl)-5-fluorobenzene-1,2-diamine
CID 66110295
4-bromo-2-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzene-1,2-diamine
CID 116735336
4-bromo-5-fluoro-1-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 104758724
N-[2-(2-amino-5-bromo-4-fluoroanilino)ethyl]acetamide
CID 116735517
2-(2-amino-4-fluoro-5-methylanilino)ethanesulfonamide
CID 103589964

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylethanesulfonamide (CID 106334547) is 2-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CCNc1cc(F)c(Br)cc1N.
What is the InChIKey of 2-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylethanesulfonamide?
The InChIKey is VZKQJZQVCWDOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrFN3O2S/c1-15(2)18(16,17)4-3-14-10-6-8(12)7(11)5-9(10)13/h5-6,14H,3-4,13H2,1-2H3.
What are the key properties of 2-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylethanesulfonamide?
2-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylethanesulfonamide has a molecular weight of 340.22 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromo-5-fluoroanilino)-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 106334547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).