3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide

C15H15BrFNO3S — CID 39749873

IUPAC3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccc2F)cc1Br
InChIInChI=1S/C15H15BrFNO3S/c1-21-15-7-6-12(10-13(15)16)22(19,20)18-9-8-11-4-2-3-5-14(11)17/h2-7,10,18H,8-9H2,1H3
InChIKeyHJBBOQXUXUJYQY-UHFFFAOYSA-N
MW388.26 g/mol
LogP3.12
Rot. Bonds6

About 3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide

3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 39749873) has the molecular formula C15H15BrFNO3S and a molecular weight of 388.26 g/mol. Its IUPAC name is 3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
PubChem CID39749873
Molecular FormulaC15H15BrFNO3S
Molecular Weight388.26 g/mol
Exact Mass386.99
IUPAC Name3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccc2F)cc1Br
InChIInChI=1S/C15H15BrFNO3S/c1-21-15-7-6-12(10-13(15)16)22(19,20)18-9-8-11-4-2-3-5-14(11)17/h2-7,10,18H,8-9H2,1H3
InChIKeyHJBBOQXUXUJYQY-UHFFFAOYSA-N
XLogP3.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1092303
4-Methoxy-N-(3-phenylpropyl)benzenesulfonamide
CID 1718316
4-Methoxy-N-phenethyl-benzenesulfonamide
CID 739803
N-benzyl-4-bromo-3-methoxybenzenesulfonamide
CID 2221948
3-bromo-4-methoxy-N-{2-[(3-methylbenzyl)thio]ethyl}benzenesulfonamide
CID 2289395
N-(3-bicyclo[2.2.1]heptanyl)-3-bromo-4-methoxybenzenesulfonamide
CID 2893758
N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 841713
N-benzyl-5-bromo-2-methoxybenzenesulfonamide
CID 1073736
N-benzyl-3-bromo-4-methoxybenzenesulfonamide
CID 1120507
4-bromo-N-(4-methoxybenzyl)benzenesulfonamide
CID 986643
N-benzyl-4-bromo-3-ethoxybenzenesulfonamide
CID 2239292
2-bromo-4-fluoro-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 46902208

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide (CID 39749873) is 3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2ccccc2F)cc1Br.
What is the InChIKey of 3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is HJBBOQXUXUJYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO3S/c1-21-15-7-6-12(10-13(15)16)22(19,20)18-9-8-11-4-2-3-5-14(11)17/h2-7,10,18H,8-9H2,1H3.
What are the key properties of 3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide?
3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 388.26 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 39749873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).