N-(4-bromo-2-chlorophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide

C15H12BrCl2NO3S — CID 17225284

IUPACN-(4-bromo-2-chlorophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C15H12BrCl2NO3S/c16-11-3-6-14(13(18)7-11)19-15(20)9-23(21,22)8-10-1-4-12(17)5-2-10/h1-7H,8-9H2,(H,19,20)
InChIKeyHASWJDZCWPZPLE-UHFFFAOYSA-N
MW437.14 g/mol
LogP4.31
Rot. Bonds5

About N-(4-bromo-2-chlorophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide

N-(4-bromo-2-chlorophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide (PubChem CID 17225284) has the molecular formula C15H12BrCl2NO3S and a molecular weight of 437.14 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide
PubChem CID17225284
Molecular FormulaC15H12BrCl2NO3S
Molecular Weight437.14 g/mol
Exact Mass434.91
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide
SMILESO=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C15H12BrCl2NO3S/c16-11-3-6-14(13(18)7-11)19-15(20)9-23(21,22)8-10-1-4-12(17)5-2-10/h1-7H,8-9H2,(H,19,20)
InChIKeyHASWJDZCWPZPLE-UHFFFAOYSA-N
XLogP4.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.14
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide (CID 17225284) is N-(4-bromo-2-chlorophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide is O=C(CS(=O)(=O)Cc1ccc(Cl)cc1)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide?
The InChIKey is HASWJDZCWPZPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO3S/c16-11-3-6-14(13(18)7-11)19-15(20)9-23(21,22)8-10-1-4-12(17)5-2-10/h1-7H,8-9H2,(H,19,20).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide?
N-(4-bromo-2-chlorophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide has a molecular weight of 437.14 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 17225284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).