2,4-dibromo-N-[(4-bromothiophen-2-yl)methyl]benzenesulfonamide

C11H8Br3NO2S2 — CID 47319560

IUPAC2,4-dibromo-N-[(4-bromothiophen-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(Br)cs1)c1ccc(Br)cc1Br
InChIInChI=1S/C11H8Br3NO2S2/c12-7-1-2-11(10(14)4-7)19(16,17)15-5-9-3-8(13)6-18-9/h1-4,6,15H,5H2
InChIKeyDSPBXUFVXIAUEL-UHFFFAOYSA-N
MW490.04 g/mol
LogP4.51
Rot. Bonds4

About 2,4-dibromo-N-[(4-bromothiophen-2-yl)methyl]benzenesulfonamide

2,4-dibromo-N-[(4-bromothiophen-2-yl)methyl]benzenesulfonamide (PubChem CID 47319560) has the molecular formula C11H8Br3NO2S2 and a molecular weight of 490.04 g/mol. Its IUPAC name is 2,4-dibromo-N-[(4-bromothiophen-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-[(4-bromothiophen-2-yl)methyl]benzenesulfonamide
PubChem CID47319560
Molecular FormulaC11H8Br3NO2S2
Molecular Weight490.04 g/mol
Exact Mass486.75
IUPAC Name2,4-dibromo-N-[(4-bromothiophen-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cc(Br)cs1)c1ccc(Br)cc1Br
InChIInChI=1S/C11H8Br3NO2S2/c12-7-1-2-11(10(14)4-7)19(16,17)15-5-9-3-8(13)6-18-9/h1-4,6,15H,5H2
InChIKeyDSPBXUFVXIAUEL-UHFFFAOYSA-N
XLogP4.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.04
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-nitrobenzenesulfonamide
CID 61069071
2,4-dibromo-N-[(3-bromothiophen-2-yl)methyl]benzenesulfonamide
CID 78983691
2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 113341895
2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232776
2-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 102920830
4-[(4-bromothiophen-2-yl)methylsulfamoyl]-3-methylbenzenecarbothioamide
CID 106998289
N-[(4-bromothiophen-2-yl)methyl]-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 102704070
2-[(2,4-dibromophenyl)sulfonylamino]acetic acid
CID 60823111
N-[(4-bromothiophen-2-yl)methyl]-2-chloro-5-nitrobenzenesulfonamide
CID 61067754
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dibromobenzenesulfonamide
CID 1075102
5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-2,3-difluorobenzenesulfonamide
CID 105122394
2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62839999

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(4-bromothiophen-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-[(4-bromothiophen-2-yl)methyl]benzenesulfonamide (CID 47319560) is 2,4-dibromo-N-[(4-bromothiophen-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-[(4-bromothiophen-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-[(4-bromothiophen-2-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1cc(Br)cs1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-[(4-bromothiophen-2-yl)methyl]benzenesulfonamide?
The InChIKey is DSPBXUFVXIAUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br3NO2S2/c12-7-1-2-11(10(14)4-7)19(16,17)15-5-9-3-8(13)6-18-9/h1-4,6,15H,5H2.
What are the key properties of 2,4-dibromo-N-[(4-bromothiophen-2-yl)methyl]benzenesulfonamide?
2,4-dibromo-N-[(4-bromothiophen-2-yl)methyl]benzenesulfonamide has a molecular weight of 490.04 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(4-bromothiophen-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 47319560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).