N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)ethanesulfonamide

C11H15BrFNO3S — CID 111439949

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCO)Cc1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO3S/c1-2-18(16,17)14(5-6-15)8-9-7-10(12)3-4-11(9)13/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyAFZAQXFNFPXLKI-UHFFFAOYSA-N
MW340.21 g/mol
LogP1.73
Rot. Bonds6

About N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)ethanesulfonamide

N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)ethanesulfonamide (PubChem CID 111439949) has the molecular formula C11H15BrFNO3S and a molecular weight of 340.21 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)ethanesulfonamide
PubChem CID111439949
Molecular FormulaC11H15BrFNO3S
Molecular Weight340.21 g/mol
Exact Mass338.99
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(CCO)Cc1cc(Br)ccc1F
InChIInChI=1S/C11H15BrFNO3S/c1-2-18(16,17)14(5-6-15)8-9-7-10(12)3-4-11(9)13/h3-4,7,15H,2,5-6,8H2,1H3
InChIKeyAFZAQXFNFPXLKI-UHFFFAOYSA-N
XLogP1.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-fluorophenyl)methyl-(2-hydroxyethyl)amino]acetic acid
CID 119135294
4-bromo-2-ethyl-1-fluorobenzene
CID 22641025
3-[(5-bromo-2-fluorophenyl)methyl-(2-hydroxyethyl)amino]-N-ethylpropanamide
CID 110932129
2-[(5-bromo-2-fluorophenyl)methyl-(2,2-dimethoxyethyl)amino]ethanol
CID 122143727
5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide
CID 110760985
N-(2-bromoethyl)-N-[(5-bromo-2-fluorophenyl)methyl]butan-1-amine
CID 80672475
N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-chloroethyl)butan-1-amine
CID 55182598
4-bromo-2-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 116527699
(5-bromo-2-fluorophenyl)methanesulfonamide
CID 61064236
2-[(5-bromo-2-fluorophenyl)methyl-[(2,6-dichloro-4-pyridinyl)methyl]amino]ethanol
CID 56509114
2-amino-5-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111458
4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 103833721

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)ethanesulfonamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)ethanesulfonamide (CID 111439949) is N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)ethanesulfonamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)ethanesulfonamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)ethanesulfonamide is CCS(=O)(=O)N(CCO)Cc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)ethanesulfonamide?
The InChIKey is AFZAQXFNFPXLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO3S/c1-2-18(16,17)14(5-6-15)8-9-7-10(12)3-4-11(9)13/h3-4,7,15H,2,5-6,8H2,1H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)ethanesulfonamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)ethanesulfonamide has a molecular weight of 340.21 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethyl)ethanesulfonamide is sourced from PubChem (CID 111439949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).