2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide

C14H12Br3NO2S — CID 63420635

IUPAC2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)ccc1Br)c1cccc(Br)c1
InChIInChI=1S/C14H12Br3NO2S/c1-9(10-3-2-4-11(15)7-10)18-21(19,20)14-8-12(16)5-6-13(14)17/h2-9,18H,1H3
InChIKeyIJQSROHLARVFRF-UHFFFAOYSA-N
MW498.03 g/mol
LogP5.01
Rot. Bonds4

About 2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide

2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide (PubChem CID 63420635) has the molecular formula C14H12Br3NO2S and a molecular weight of 498.03 g/mol. Its IUPAC name is 2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
PubChem CID63420635
Molecular FormulaC14H12Br3NO2S
Molecular Weight498.03 g/mol
Exact Mass494.81
IUPAC Name2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Br)ccc1Br)c1cccc(Br)c1
InChIInChI=1S/C14H12Br3NO2S/c1-9(10-3-2-4-11(15)7-10)18-21(19,20)14-8-12(16)5-6-13(14)17/h2-9,18H,1H3
InChIKeyIJQSROHLARVFRF-UHFFFAOYSA-N
XLogP5.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.03
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-bromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide
CID 61125800
2,5-dibromo-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 43001328
5-amino-N-[1-(3-bromophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 61125991
N-[(1R)-1-(3-bromophenyl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 28560356
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 43874274
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide
CID 26944075
N-[(1R)-1-(3-bromophenyl)ethyl]-1-chloromethanesulfonamide
CID 107858585
(2R)-2-[(2,5-dibromophenyl)sulfonylamino]propanoic acid
CID 54991538
2,5-dibromo-N-[cyano(phenyl)methyl]benzenesulfonamide
CID 60707648
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82950147
2,5-dibromo-4-methyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 107864152
2-[[(1S)-1-(3-bromophenyl)ethyl]sulfamoyl]acetic acid
CID 81371672

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide (CID 63420635) is 2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1cc(Br)ccc1Br)c1cccc(Br)c1.
What is the InChIKey of 2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide?
The InChIKey is IJQSROHLARVFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br3NO2S/c1-9(10-3-2-4-11(15)7-10)18-21(19,20)14-8-12(16)5-6-13(14)17/h2-9,18H,1H3.
What are the key properties of 2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide?
2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide has a molecular weight of 498.03 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[1-(3-bromophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 63420635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).