2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C17H20ClN3O3S — CID 4881794

IUPAC2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(NCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(Cl)c1
InChIInChI=1S/C17H20ClN3O3S/c1-12-7-8-16(15(18)9-12)19-11-17(22)20-13-5-4-6-14(10-13)25(23,24)21(2)3/h4-10,19H,11H2,1-3H3,(H,20,22)
InChIKeyDAFGFNPQASGAQI-UHFFFAOYSA-N
MW381.89 g/mol
LogP2.95
Rot. Bonds6

About 2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 4881794) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is 2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID4881794
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(NCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(Cl)c1
InChIInChI=1S/C17H20ClN3O3S/c1-12-7-8-16(15(18)9-12)19-11-17(22)20-13-5-4-6-14(10-13)25(23,24)21(2)3/h4-10,19H,11H2,1-3H3,(H,20,22)
InChIKeyDAFGFNPQASGAQI-UHFFFAOYSA-N
XLogP2.95
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 4881794) is 2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is Cc1ccc(NCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is DAFGFNPQASGAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-12-7-8-16(15(18)9-12)19-11-17(22)20-13-5-4-6-14(10-13)25(23,24)21(2)3/h4-10,19H,11H2,1-3H3,(H,20,22).
What are the key properties of 2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 381.89 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4881794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).