1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide

C15H15BrFNO2S — CID 99817476

IUPAC1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Br)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C15H15BrFNO2S/c16-14-5-1-13(2-6-14)11-21(19,20)18-10-9-12-3-7-15(17)8-4-12/h1-8,18H,9-11H2
InChIKeyYWHQIFDBCMQUGM-UHFFFAOYSA-N
MW372.26 g/mol
LogP3.25
Rot. Bonds6

About 1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide

1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide (PubChem CID 99817476) has the molecular formula C15H15BrFNO2S and a molecular weight of 372.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
PubChem CID99817476
Molecular FormulaC15H15BrFNO2S
Molecular Weight372.26 g/mol
Exact Mass371.00
IUPAC Name1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Br)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C15H15BrFNO2S/c16-14-5-1-13(2-6-14)11-21(19,20)18-10-9-12-3-7-15(17)8-4-12/h1-8,18H,9-11H2
InChIKeyYWHQIFDBCMQUGM-UHFFFAOYSA-N
XLogP3.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)methanesulfonamide
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1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
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1-(4-fluorophenyl)-N-[2-(propylamino)ethyl]methanesulfonamide;hydrochloride
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N-(4,4-dimethylpentyl)-1-(4-fluorophenyl)methanesulfonamide
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3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide
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N-[2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]ethyl]-1-(4-fluorophenyl)methanesulfonamide
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1-(4-fluorophenyl)-N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide (CID 99817476) is 1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide is O=S(=O)(Cc1ccc(Br)cc1)NCCc1ccc(F)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide?
The InChIKey is YWHQIFDBCMQUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO2S/c16-14-5-1-13(2-6-14)11-21(19,20)18-10-9-12-3-7-15(17)8-4-12/h1-8,18H,9-11H2.
What are the key properties of 1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide?
1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide has a molecular weight of 372.26 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 99817476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).