5-bromo-4-[2-(diethylamino)ethoxy]-2-fluorobenzenesulfonamide

C12H18BrFN2O3S — CID 82919302

IUPAC5-bromo-4-[2-(diethylamino)ethoxy]-2-fluorobenzenesulfonamide
SMILESCCN(CC)CCOc1cc(F)c(S(N)(=O)=O)cc1Br
InChIInChI=1S/C12H18BrFN2O3S/c1-3-16(4-2)5-6-19-11-8-10(14)12(7-9(11)13)20(15,17)18/h7-8H,3-6H2,1-2H3,(H2,15,17,18)
InChIKeyCXEVMDVYDRMIOT-UHFFFAOYSA-N
MW369.26 g/mol
LogP1.96
Rot. Bonds7

About 5-bromo-4-[2-(diethylamino)ethoxy]-2-fluorobenzenesulfonamide

5-bromo-4-[2-(diethylamino)ethoxy]-2-fluorobenzenesulfonamide (PubChem CID 82919302) has the molecular formula C12H18BrFN2O3S and a molecular weight of 369.26 g/mol. Its IUPAC name is 5-bromo-4-[2-(diethylamino)ethoxy]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-4-[2-(diethylamino)ethoxy]-2-fluorobenzenesulfonamide
PubChem CID82919302
Molecular FormulaC12H18BrFN2O3S
Molecular Weight369.26 g/mol
Exact Mass368.02
IUPAC Name5-bromo-4-[2-(diethylamino)ethoxy]-2-fluorobenzenesulfonamide
SMILESCCN(CC)CCOc1cc(F)c(S(N)(=O)=O)cc1Br
InChIInChI=1S/C12H18BrFN2O3S/c1-3-16(4-2)5-6-19-11-8-10(14)12(7-9(11)13)20(15,17)18/h7-8H,3-6H2,1-2H3,(H2,15,17,18)
InChIKeyCXEVMDVYDRMIOT-UHFFFAOYSA-N
XLogP1.96
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-fluoro-4-hept-6-enoxybenzenesulfonamide
CID 107007701
2-amino-3-[2-(diethylamino)ethoxy]benzenesulfonamide
CID 112675117
5-bromo-2-fluoro-4-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 82916643
2-(4-bromo-2-fluorophenoxy)-N,N-diethylethanamine
CID 58603321
2-(2-bromo-5-fluoro-4-sulfamoylphenoxy)-N-cyclopropyl-N-methylacetamide
CID 82917950
5-bromo-2-fluoro-4-[2-(2-methylpropoxy)ethoxy]benzenesulfonyl chloride
CID 106451084
5-bromo-4-but-3-enoxy-2-fluorobenzenesulfonyl chloride
CID 82922059
5-bromo-2-[2-[di(propan-2-yl)amino]ethoxy]-4-fluoroaniline
CID 115505357
3,6-diamino-2,7-bis[2-(diethylamino)ethoxy]fluoren-9-one
CID 10094803
2-amino-5-bromo-N-ethyl-4-fluoro-N-methylbenzenesulfonamide
CID 106491371
N-[2-(2-bromo-5-fluorophenoxy)ethyl]-N-methylethanesulfonamide
CID 167826342
2-[2-(2-bromo-4-chlorophenoxy)ethyl-ethylamino]ethanol
CID 60685923

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(diethylamino)ethoxy]-2-fluorobenzenesulfonamide?
The IUPAC name of 5-bromo-4-[2-(diethylamino)ethoxy]-2-fluorobenzenesulfonamide (CID 82919302) is 5-bromo-4-[2-(diethylamino)ethoxy]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-bromo-4-[2-(diethylamino)ethoxy]-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-bromo-4-[2-(diethylamino)ethoxy]-2-fluorobenzenesulfonamide is CCN(CC)CCOc1cc(F)c(S(N)(=O)=O)cc1Br.
What is the InChIKey of 5-bromo-4-[2-(diethylamino)ethoxy]-2-fluorobenzenesulfonamide?
The InChIKey is CXEVMDVYDRMIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrFN2O3S/c1-3-16(4-2)5-6-19-11-8-10(14)12(7-9(11)13)20(15,17)18/h7-8H,3-6H2,1-2H3,(H2,15,17,18).
What are the key properties of 5-bromo-4-[2-(diethylamino)ethoxy]-2-fluorobenzenesulfonamide?
5-bromo-4-[2-(diethylamino)ethoxy]-2-fluorobenzenesulfonamide has a molecular weight of 369.26 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(diethylamino)ethoxy]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 82919302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).