2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide

C11H15BrFNO3S — CID 81062736

IUPAC2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C11H15BrFNO3S/c1-3-17-7-6-14(2)18(15,16)11-5-4-9(13)8-10(11)12/h4-5,8H,3,6-7H2,1-2H3
InChIKeyHHBOOSDUULEOIY-UHFFFAOYSA-N
MW340.21 g/mol
LogP2.25
Rot. Bonds6

About 2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide

2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 81062736) has the molecular formula C11H15BrFNO3S and a molecular weight of 340.21 g/mol. Its IUPAC name is 2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide
PubChem CID81062736
Molecular FormulaC11H15BrFNO3S
Molecular Weight340.21 g/mol
Exact Mass338.99
IUPAC Name2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1ccc(F)cc1Br
InChIInChI=1S/C11H15BrFNO3S/c1-3-17-7-6-14(2)18(15,16)11-5-4-9(13)8-10(11)12/h4-5,8H,3,6-7H2,1-2H3
InChIKeyHHBOOSDUULEOIY-UHFFFAOYSA-N
XLogP2.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81062460
2-bromo-N-(2-ethoxyethyl)-N,4-dimethylbenzenesulfonamide
CID 81062273
N-(3-aminopropyl)-2-bromo-4-fluoro-N-methylbenzenesulfonamide
CID 115318995
2-bromo-N-[(4-bromophenyl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 55702998
2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 47305772
2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 74225327
N-(3-bromopropyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 106441786
5-amino-N-(2-ethoxyethyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 81052882
4-amino-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81053199
2,4-dibromo-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63691305
N-(2-ethoxyethyl)-2-fluoro-5-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 81074458
2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755345

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide (CID 81062736) is 2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide is CCOCCN(C)S(=O)(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is HHBOOSDUULEOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO3S/c1-3-17-7-6-14(2)18(15,16)11-5-4-9(13)8-10(11)12/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide?
2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 340.21 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-ethoxyethyl)-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 81062736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).