2-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide

C15H15BrFNO3S — CID 73168445

IUPAC2-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccccc1Br)c1cccc(F)c1
InChIInChI=1S/C15H15BrFNO3S/c1-21-14(11-5-4-6-12(17)9-11)10-18-22(19,20)15-8-3-2-7-13(15)16/h2-9,14,18H,10H2,1H3
InChIKeyIVZXKFSGAPYAFD-UHFFFAOYSA-N
MW388.26 g/mol
LogP3.25
Rot. Bonds6

About 2-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide

2-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide (PubChem CID 73168445) has the molecular formula C15H15BrFNO3S and a molecular weight of 388.26 g/mol. Its IUPAC name is 2-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
PubChem CID73168445
Molecular FormulaC15H15BrFNO3S
Molecular Weight388.26 g/mol
Exact Mass386.99
IUPAC Name2-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide
SMILESCOC(CNS(=O)(=O)c1ccccc1Br)c1cccc(F)c1
InChIInChI=1S/C15H15BrFNO3S/c1-21-14(11-5-4-6-12(17)9-11)10-18-22(19,20)15-8-3-2-7-13(15)16/h2-9,14,18H,10H2,1H3
InChIKeyIVZXKFSGAPYAFD-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide (CID 73168445) is 2-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide is COC(CNS(=O)(=O)c1ccccc1Br)c1cccc(F)c1.
What is the InChIKey of 2-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide?
The InChIKey is IVZXKFSGAPYAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO3S/c1-21-14(11-5-4-6-12(17)9-11)10-18-22(19,20)15-8-3-2-7-13(15)16/h2-9,14,18H,10H2,1H3.
What are the key properties of 2-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide?
2-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide has a molecular weight of 388.26 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzenesulfonamide is sourced from PubChem (CID 73168445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).