2-(5-chloro-2-hydroxy-N-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C17H20ClN3O4S — CID 126962125

IUPAC2-(5-chloro-2-hydroxy-N-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C17H20ClN3O4S/c1-20(2)26(24,25)14-6-4-5-13(10-14)19-17(23)11-21(3)15-9-12(18)7-8-16(15)22/h4-10,22H,11H2,1-3H3,(H,19,23)
InChIKeyPJNTYVJMVJZIDD-UHFFFAOYSA-N
MW397.88 g/mol
LogP2.37
Rot. Bonds6

About 2-(5-chloro-2-hydroxy-N-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-(5-chloro-2-hydroxy-N-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 126962125) has the molecular formula C17H20ClN3O4S and a molecular weight of 397.88 g/mol. Its IUPAC name is 2-(5-chloro-2-hydroxy-N-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-hydroxy-N-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID126962125
Molecular FormulaC17H20ClN3O4S
Molecular Weight397.88 g/mol
Exact Mass397.09
IUPAC Name2-(5-chloro-2-hydroxy-N-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1cc(Cl)ccc1O
InChIInChI=1S/C17H20ClN3O4S/c1-20(2)26(24,25)14-6-4-5-13(10-14)19-17(23)11-21(3)15-9-12(18)7-8-16(15)22/h4-10,22H,11H2,1-3H3,(H,19,23)
InChIKeyPJNTYVJMVJZIDD-UHFFFAOYSA-N
XLogP2.37
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-hydroxy-N-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(5-chloro-2-hydroxy-N-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 126962125) is 2-(5-chloro-2-hydroxy-N-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-hydroxy-N-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-hydroxy-N-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CN(CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1cc(Cl)ccc1O.
What is the InChIKey of 2-(5-chloro-2-hydroxy-N-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is PJNTYVJMVJZIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4S/c1-20(2)26(24,25)14-6-4-5-13(10-14)19-17(23)11-21(3)15-9-12(18)7-8-16(15)22/h4-10,22H,11H2,1-3H3,(H,19,23).
What are the key properties of 2-(5-chloro-2-hydroxy-N-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-(5-chloro-2-hydroxy-N-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 397.88 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-hydroxy-N-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 126962125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).