N-benzyl-2-bromo-5-[2-(4-bromophenyl)acetyl]benzenesulfonamide

C21H17Br2NO3S — CID 158580510

IUPACN-benzyl-2-bromo-5-[2-(4-bromophenyl)acetyl]benzenesulfonamide
SMILESO=C(Cc1ccc(Br)cc1)c1ccc(Br)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H17Br2NO3S/c22-18-9-6-15(7-10-18)12-20(25)17-8-11-19(23)21(13-17)28(26,27)24-14-16-4-2-1-3-5-16/h1-11,13,24H,12,14H2
InChIKeyHTEUBWZGJKMVFX-UHFFFAOYSA-N
MW523.25 g/mol
LogP5.12
Rot. Bonds7

About N-benzyl-2-bromo-5-[2-(4-bromophenyl)acetyl]benzenesulfonamide

N-benzyl-2-bromo-5-[2-(4-bromophenyl)acetyl]benzenesulfonamide (PubChem CID 158580510) has the molecular formula C21H17Br2NO3S and a molecular weight of 523.25 g/mol. Its IUPAC name is N-benzyl-2-bromo-5-[2-(4-bromophenyl)acetyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-bromo-5-[2-(4-bromophenyl)acetyl]benzenesulfonamide
PubChem CID158580510
Molecular FormulaC21H17Br2NO3S
Molecular Weight523.25 g/mol
Exact Mass520.93
IUPAC NameN-benzyl-2-bromo-5-[2-(4-bromophenyl)acetyl]benzenesulfonamide
SMILESO=C(Cc1ccc(Br)cc1)c1ccc(Br)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H17Br2NO3S/c22-18-9-6-15(7-10-18)12-20(25)17-8-11-19(23)21(13-17)28(26,27)24-14-16-4-2-1-3-5-16/h1-11,13,24H,12,14H2
InChIKeyHTEUBWZGJKMVFX-UHFFFAOYSA-N
XLogP5.12
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.25
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-(pyridin-4-ylmethylsulfamoyl)benzoic acid
CID 28830112
N-benzyl-5-(2-bromoacetyl)-2-chlorobenzenesulfonamide
CID 21316702
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate
CID 55353323
4-[(4-bromophenyl)methylsulfamoyl]benzoic acid
CID 60725668
1-(4-bromo-3-chlorophenyl)-2-phenylethanone
CID 81296102
N-benzyl-2,4-dibromo-5-methylbenzenesulfonamide
CID 50876820
N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide
CID 61401064
N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide
CID 46203552
3-[(3-bromophenyl)methylsulfamoyl]-4-fluorobenzoic acid
CID 9160148
1-(3-bromophenyl)-2-(4-bromophenyl)ethanone
CID 55026809
N-[[2-(aminomethyl)phenyl]methyl]-2,5-dibromobenzenesulfonamide
CID 62949723

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-bromo-5-[2-(4-bromophenyl)acetyl]benzenesulfonamide?
The IUPAC name of N-benzyl-2-bromo-5-[2-(4-bromophenyl)acetyl]benzenesulfonamide (CID 158580510) is N-benzyl-2-bromo-5-[2-(4-bromophenyl)acetyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-2-bromo-5-[2-(4-bromophenyl)acetyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-2-bromo-5-[2-(4-bromophenyl)acetyl]benzenesulfonamide is O=C(Cc1ccc(Br)cc1)c1ccc(Br)c(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-bromo-5-[2-(4-bromophenyl)acetyl]benzenesulfonamide?
The InChIKey is HTEUBWZGJKMVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Br2NO3S/c22-18-9-6-15(7-10-18)12-20(25)17-8-11-19(23)21(13-17)28(26,27)24-14-16-4-2-1-3-5-16/h1-11,13,24H,12,14H2.
What are the key properties of N-benzyl-2-bromo-5-[2-(4-bromophenyl)acetyl]benzenesulfonamide?
N-benzyl-2-bromo-5-[2-(4-bromophenyl)acetyl]benzenesulfonamide has a molecular weight of 523.25 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-bromo-5-[2-(4-bromophenyl)acetyl]benzenesulfonamide is sourced from PubChem (CID 158580510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).