N-(5-chloro-2-hydroxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide

C15H14Cl2N2O4S — CID 2204098

IUPACN-(5-chloro-2-hydroxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cc(Cl)ccc1O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2N2O4S/c1-19(24(22,23)12-5-2-10(16)3-6-12)9-15(21)18-13-8-11(17)4-7-14(13)20/h2-8,20H,9H2,1H3,(H,18,21)
InChIKeyCLQQQZARDMZMAY-UHFFFAOYSA-N
MW389.26 g/mol
LogP2.96
Rot. Bonds5

About N-(5-chloro-2-hydroxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide

N-(5-chloro-2-hydroxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide (PubChem CID 2204098) has the molecular formula C15H14Cl2N2O4S and a molecular weight of 389.26 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
PubChem CID2204098
Molecular FormulaC15H14Cl2N2O4S
Molecular Weight389.26 g/mol
Exact Mass388.01
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1cc(Cl)ccc1O)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl2N2O4S/c1-19(24(22,23)12-5-2-10(16)3-6-12)9-15(21)18-13-8-11(17)4-7-14(13)20/h2-8,20H,9H2,1H3,(H,18,21)
InChIKeyCLQQQZARDMZMAY-UHFFFAOYSA-N
XLogP2.96
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.26
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide (CID 2204098) is N-(5-chloro-2-hydroxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide is CN(CC(=O)Nc1cc(Cl)ccc1O)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
The InChIKey is CLQQQZARDMZMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O4S/c1-19(24(22,23)12-5-2-10(16)3-6-12)9-15(21)18-13-8-11(17)4-7-14(13)20/h2-8,20H,9H2,1H3,(H,18,21).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide?
N-(5-chloro-2-hydroxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide has a molecular weight of 389.26 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 2204098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).