2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide

C12H18BrFN2O3S — CID 106491946

IUPAC2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCC(C)OCCN(C)S(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C12H18BrFN2O3S/c1-8(2)19-5-4-16(3)20(17,18)12-6-9(13)10(14)7-11(12)15/h6-8H,4-5,15H2,1-3H3
InChIKeyGBUNAMTVBJMRMJ-UHFFFAOYSA-N
MW369.26 g/mol
LogP2.22
Rot. Bonds6

About 2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide

2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide (PubChem CID 106491946) has the molecular formula C12H18BrFN2O3S and a molecular weight of 369.26 g/mol. Its IUPAC name is 2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
PubChem CID106491946
Molecular FormulaC12H18BrFN2O3S
Molecular Weight369.26 g/mol
Exact Mass368.02
IUPAC Name2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCC(C)OCCN(C)S(=O)(=O)c1cc(Br)c(F)cc1N
InChIInChI=1S/C12H18BrFN2O3S/c1-8(2)19-5-4-16(3)20(17,18)12-6-9(13)10(14)7-11(12)15/h6-8H,4-5,15H2,1-3H3
InChIKeyGBUNAMTVBJMRMJ-UHFFFAOYSA-N
XLogP2.22
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-bromo-4-fluoro-N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 106491921
2-amino-5-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81052971
2-amino-5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-4-fluoro-N-methylbenzenesulfonamide
CID 106491934
2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide
CID 106491371
5-amino-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81052656
2-amino-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81053835
2-amino-5-bromo-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 106491295
2-amino-5-bromo-4-fluoro-N-propan-2-yl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 106491530
5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81067632
5-bromo-N-methyl-N-(2-propan-2-yloxyethyl)-1H-pyrazole-4-sulfonamide
CID 167955994
4-amino-N,2-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81053045
5-(aminomethyl)-2-bromo-N-methyl-N-(2-propan-2-yloxyethyl)thiophene-3-sulfonamide
CID 81068902

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide (CID 106491946) is 2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide is CC(C)OCCN(C)S(=O)(=O)c1cc(Br)c(F)cc1N.
What is the InChIKey of 2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The InChIKey is GBUNAMTVBJMRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrFN2O3S/c1-8(2)19-5-4-16(3)20(17,18)12-6-9(13)10(14)7-11(12)15/h6-8H,4-5,15H2,1-3H3.
What are the key properties of 2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide has a molecular weight of 369.26 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 106491946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).