2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide

C14H11Br2F2NO2S — CID 55907244

IUPAC2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1Br)c1ccc(F)cc1F
InChIInChI=1S/C14H11Br2F2NO2S/c1-8(11-4-3-10(17)7-13(11)18)19-22(20,21)14-5-2-9(15)6-12(14)16/h2-8,19H,1H3
InChIKeyMBOCIXUZUDDESC-UHFFFAOYSA-N
MW455.12 g/mol
LogP4.53
Rot. Bonds4

About 2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide

2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide (PubChem CID 55907244) has the molecular formula C14H11Br2F2NO2S and a molecular weight of 455.12 g/mol. Its IUPAC name is 2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide
PubChem CID55907244
Molecular FormulaC14H11Br2F2NO2S
Molecular Weight455.12 g/mol
Exact Mass452.88
IUPAC Name2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Br)cc1Br)c1ccc(F)cc1F
InChIInChI=1S/C14H11Br2F2NO2S/c1-8(11-4-3-10(17)7-13(11)18)19-22(20,21)14-5-2-9(15)6-12(14)16/h2-8,19H,1H3
InChIKeyMBOCIXUZUDDESC-UHFFFAOYSA-N
XLogP4.53
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.12
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 61073267
5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 55352646
2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107868985
N-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 51169578
2-bromo-4-fluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 47257541
4-bromo-2-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 32943683
2-bromo-N-[1-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 61074330
2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 47257678
N-[1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61249942
5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-3-methyltriazole-4-sulfonamide
CID 106467672
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107869105
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3463854

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide (CID 55907244) is 2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(Br)cc1Br)c1ccc(F)cc1F.
What is the InChIKey of 2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is MBOCIXUZUDDESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2F2NO2S/c1-8(11-4-3-10(17)7-13(11)18)19-22(20,21)14-5-2-9(15)6-12(14)16/h2-8,19H,1H3.
What are the key properties of 2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide?
2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide has a molecular weight of 455.12 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 55907244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).