2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-chlorophenyl)acetamide

C21H18BrClN2O3S — CID 3893769

IUPAC2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-chlorophenyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1Cl
InChIInChI=1S/C21H18BrClN2O3S/c22-17-10-12-18(13-11-17)29(27,28)25(14-16-6-2-1-3-7-16)15-21(26)24-20-9-5-4-8-19(20)23/h1-13H,14-15H2,(H,24,26)
InChIKeyKBCLIWHVEPTIFA-UHFFFAOYSA-N
MW493.81 g/mol
LogP4.93
Rot. Bonds7

About 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-chlorophenyl)acetamide

2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-chlorophenyl)acetamide (PubChem CID 3893769) has the molecular formula C21H18BrClN2O3S and a molecular weight of 493.81 g/mol. Its IUPAC name is 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-chlorophenyl)acetamide
PubChem CID3893769
Molecular FormulaC21H18BrClN2O3S
Molecular Weight493.81 g/mol
Exact Mass491.99
IUPAC Name2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-chlorophenyl)acetamide
SMILESO=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1Cl
InChIInChI=1S/C21H18BrClN2O3S/c22-17-10-12-18(13-11-17)29(27,28)25(14-16-6-2-1-3-7-16)15-21(26)24-20-9-5-4-8-19(20)23/h1-13H,14-15H2,(H,24,26)
InChIKeyKBCLIWHVEPTIFA-UHFFFAOYSA-N
XLogP4.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.81
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-chlorophenyl)acetamide (CID 3893769) is 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-chlorophenyl)acetamide is O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1Cl.
What is the InChIKey of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-chlorophenyl)acetamide?
The InChIKey is KBCLIWHVEPTIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrClN2O3S/c22-17-10-12-18(13-11-17)29(27,28)25(14-16-6-2-1-3-7-16)15-21(26)24-20-9-5-4-8-19(20)23/h1-13H,14-15H2,(H,24,26).
What are the key properties of 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-chlorophenyl)acetamide?
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-chlorophenyl)acetamide has a molecular weight of 493.81 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-bromophenyl)sulfonylamino]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 3893769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).