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

C16H18ClN3O4S — CID 126962124

IUPAC2-(5-chloro-2-hydroxyanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CNc2cc(Cl)ccc2O)c1
InChIInChI=1S/C16H18ClN3O4S/c1-20(2)25(23,24)13-5-3-4-12(9-13)19-16(22)10-18-14-8-11(17)6-7-15(14)21/h3-9,18,21H,10H2,1-2H3,(H,19,22)
InChIKeyDOCUBWCWHIEWFN-UHFFFAOYSA-N
MW383.86 g/mol
LogP2.35
Rot. Bonds6

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

2-(5-chloro-2-hydroxyanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 126962124) has the molecular formula C16H18ClN3O4S and a molecular weight of 383.86 g/mol. Its IUPAC name is 2-(5-chloro-2-hydroxyanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-hydroxyanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID126962124
Molecular FormulaC16H18ClN3O4S
Molecular Weight383.86 g/mol
Exact Mass383.07
IUPAC Name2-(5-chloro-2-hydroxyanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CNc2cc(Cl)ccc2O)c1
InChIInChI=1S/C16H18ClN3O4S/c1-20(2)25(23,24)13-5-3-4-12(9-13)19-16(22)10-18-14-8-11(17)6-7-15(14)21/h3-9,18,21H,10H2,1-2H3,(H,19,22)
InChIKeyDOCUBWCWHIEWFN-UHFFFAOYSA-N
XLogP2.35
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-hydroxyanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(5-chloro-2-hydroxyanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 126962124) is 2-(5-chloro-2-hydroxyanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-hydroxyanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-hydroxyanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2cc(Cl)ccc2O)c1.
What is the InChIKey of 2-(5-chloro-2-hydroxyanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is DOCUBWCWHIEWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4S/c1-20(2)25(23,24)13-5-3-4-12(9-13)19-16(22)10-18-14-8-11(17)6-7-15(14)21/h3-9,18,21H,10H2,1-2H3,(H,19,22).
What are the key properties of 2-(5-chloro-2-hydroxyanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-(5-chloro-2-hydroxyanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 383.86 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-hydroxyanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 126962124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).