4-[[(2,4-dibromophenyl)sulfonylamino]methyl]-N-ethylbenzamide

C16H16Br2N2O3S — CID 55906367

IUPAC4-[[(2,4-dibromophenyl)sulfonylamino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C16H16Br2N2O3S/c1-2-19-16(21)12-5-3-11(4-6-12)10-20-24(22,23)15-8-7-13(17)9-14(15)18/h3-9,20H,2,10H2,1H3,(H,19,21)
InChIKeyWMPKMMIJXPJGAH-UHFFFAOYSA-N
MW476.19 g/mol
LogP3.44
Rot. Bonds6

About 4-[[(2,4-dibromophenyl)sulfonylamino]methyl]-N-ethylbenzamide

4-[[(2,4-dibromophenyl)sulfonylamino]methyl]-N-ethylbenzamide (PubChem CID 55906367) has the molecular formula C16H16Br2N2O3S and a molecular weight of 476.19 g/mol. Its IUPAC name is 4-[[(2,4-dibromophenyl)sulfonylamino]methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[[(2,4-dibromophenyl)sulfonylamino]methyl]-N-ethylbenzamide
PubChem CID55906367
Molecular FormulaC16H16Br2N2O3S
Molecular Weight476.19 g/mol
Exact Mass473.92
IUPAC Name4-[[(2,4-dibromophenyl)sulfonylamino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2Br)cc1
InChIInChI=1S/C16H16Br2N2O3S/c1-2-19-16(21)12-5-3-11(4-6-12)10-20-24(22,23)15-8-7-13(17)9-14(15)18/h3-9,20H,2,10H2,1H3,(H,19,21)
InChIKeyWMPKMMIJXPJGAH-UHFFFAOYSA-N
XLogP3.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.19
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232776
N-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide
CID 55904950
N-ethyl-4-[[(2,4,6-trimethylphenyl)sulfonylamino]methyl]benzamide
CID 55905207
N-ethyl-4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]benzamide
CID 60539441
4-[[(4-cyclohexylphenyl)sulfonylamino]methyl]-N-ethylbenzamide
CID 52708157
4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-ethylbenzamide
CID 55905079
4-amino-2-bromo-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106899208
2-[(2,4-dibromophenyl)sulfonylamino]acetic acid
CID 60823111
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dibromobenzenesulfonamide
CID 1075102
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 20854229
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,4-dibromophenyl)sulfonylamino]methyl]-N-ethylbenzamide?
The IUPAC name of 4-[[(2,4-dibromophenyl)sulfonylamino]methyl]-N-ethylbenzamide (CID 55906367) is 4-[[(2,4-dibromophenyl)sulfonylamino]methyl]-N-ethylbenzamide.
What is the SMILES notation for 4-[[(2,4-dibromophenyl)sulfonylamino]methyl]-N-ethylbenzamide?
The canonical SMILES for 4-[[(2,4-dibromophenyl)sulfonylamino]methyl]-N-ethylbenzamide is CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Br)cc2Br)cc1.
What is the InChIKey of 4-[[(2,4-dibromophenyl)sulfonylamino]methyl]-N-ethylbenzamide?
The InChIKey is WMPKMMIJXPJGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2N2O3S/c1-2-19-16(21)12-5-3-11(4-6-12)10-20-24(22,23)15-8-7-13(17)9-14(15)18/h3-9,20H,2,10H2,1H3,(H,19,21).
What are the key properties of 4-[[(2,4-dibromophenyl)sulfonylamino]methyl]-N-ethylbenzamide?
4-[[(2,4-dibromophenyl)sulfonylamino]methyl]-N-ethylbenzamide has a molecular weight of 476.19 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,4-dibromophenyl)sulfonylamino]methyl]-N-ethylbenzamide is sourced from PubChem (CID 55906367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).