2-bromo-4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide

C12H18BrFN2O3S — CID 62850287

IUPAC2-bromo-4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
SMILESCOCCN(C)CCNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C12H18BrFN2O3S/c1-16(7-8-19-2)6-5-15-20(17,18)12-4-3-10(14)9-11(12)13/h3-4,9,15H,5-8H2,1-2H3
InChIKeyALWWWGHZXWCRPU-UHFFFAOYSA-N
MW369.26 g/mol
LogP1.44
Rot. Bonds8

About 2-bromo-4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide

2-bromo-4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide (PubChem CID 62850287) has the molecular formula C12H18BrFN2O3S and a molecular weight of 369.26 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
PubChem CID62850287
Molecular FormulaC12H18BrFN2O3S
Molecular Weight369.26 g/mol
Exact Mass368.02
IUPAC Name2-bromo-4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
SMILESCOCCN(C)CCNS(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C12H18BrFN2O3S/c1-16(7-8-19-2)6-5-15-20(17,18)12-4-3-10(14)9-11(12)13/h3-4,9,15H,5-8H2,1-2H3
InChIKeyALWWWGHZXWCRPU-UHFFFAOYSA-N
XLogP1.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47204744
4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845055
2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60823428
methyl 4-[(2-bromo-4-fluorophenyl)sulfonylamino]butanoate
CID 61060420
2-bromo-4-fluoro-N-pentylbenzenesulfonamide
CID 47257446
2-bromo-4-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 113258225
2-amino-5-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62845016
4-amino-3-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide
CID 82844183
N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide
CID 63254005
2-[2-[(2-bromo-4-fluorophenyl)sulfonylamino]ethoxy]acetic acid
CID 79457271
5-amino-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2,3-dimethylbenzenesulfonamide
CID 62843792
2-chloro-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47154916

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide (CID 62850287) is 2-bromo-4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide is COCCN(C)CCNS(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide?
The InChIKey is ALWWWGHZXWCRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrFN2O3S/c1-16(7-8-19-2)6-5-15-20(17,18)12-4-3-10(14)9-11(12)13/h3-4,9,15H,5-8H2,1-2H3.
What are the key properties of 2-bromo-4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide?
2-bromo-4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide has a molecular weight of 369.26 g/mol, XLogP of 1.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[2-[2-methoxyethyl(methyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 62850287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).