2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

C12H11Br2NO3S — CID 62522523

IUPAC2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(Br)ccc2Br)o1
InChIInChI=1S/C12H11Br2NO3S/c1-8-2-4-10(18-8)7-15-19(16,17)12-6-9(13)3-5-11(12)14/h2-6,15H,7H2,1H3
InChIKeyZVCBBWUVWPTZQF-UHFFFAOYSA-N
MW409.10 g/mol
LogP3.59
Rot. Bonds4

About 2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide

2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (PubChem CID 62522523) has the molecular formula C12H11Br2NO3S and a molecular weight of 409.10 g/mol. Its IUPAC name is 2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
PubChem CID62522523
Molecular FormulaC12H11Br2NO3S
Molecular Weight409.10 g/mol
Exact Mass406.88
IUPAC Name2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2cc(Br)ccc2Br)o1
InChIInChI=1S/C12H11Br2NO3S/c1-8-2-4-10(18-8)7-15-19(16,17)12-6-9(13)3-5-11(12)14/h2-6,15H,7H2,1H3
InChIKeyZVCBBWUVWPTZQF-UHFFFAOYSA-N
XLogP3.59
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.10
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-bromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081929
2,5-dibromo-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 47319256
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
2-amino-5-chloro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62522972
2-bromo-4,6-difluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62524776
5-amino-2-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081883
N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 64584740
4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 65481426
3-amino-4-[(5-methylfuran-2-yl)methylsulfamoyl]benzamide
CID 81466871
4-fluoro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 55081647
2,5-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47350573
N-(3-amino-2,6-dimethylphenyl)-2,5-dibromobenzenesulfonamide
CID 28941729

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide (CID 62522523) is 2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2cc(Br)ccc2Br)o1.
What is the InChIKey of 2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
The InChIKey is ZVCBBWUVWPTZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NO3S/c1-8-2-4-10(18-8)7-15-19(16,17)12-6-9(13)3-5-11(12)14/h2-6,15H,7H2,1H3.
What are the key properties of 2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide?
2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide has a molecular weight of 409.10 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 62522523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).