2-[(4-bromophenyl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide

C16H16BrClN2O4S — CID 1331698

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrClN2O4S/c1-20(25(22,23)13-6-3-11(17)4-7-13)10-16(21)19-14-9-12(18)5-8-15(14)24-2/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyZJZBCOOZZDKQEF-UHFFFAOYSA-N
MW447.74 g/mol
LogP3.37
Rot. Bonds6

About 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide

2-[(4-bromophenyl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide (PubChem CID 1331698) has the molecular formula C16H16BrClN2O4S and a molecular weight of 447.74 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
PubChem CID1331698
Molecular FormulaC16H16BrClN2O4S
Molecular Weight447.74 g/mol
Exact Mass445.97
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrClN2O4S/c1-20(25(22,23)13-6-3-11(17)4-7-13)10-16(21)19-14-9-12(18)5-8-15(14)24-2/h3-9H,10H2,1-2H3,(H,19,21)
InChIKeyZJZBCOOZZDKQEF-UHFFFAOYSA-N
XLogP3.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.74
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide (CID 1331698) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide is COc1ccc(Cl)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
The InChIKey is ZJZBCOOZZDKQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O4S/c1-20(25(22,23)13-6-3-11(17)4-7-13)10-16(21)19-14-9-12(18)5-8-15(14)24-2/h3-9H,10H2,1-2H3,(H,19,21).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide has a molecular weight of 447.74 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide is sourced from PubChem (CID 1331698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).