2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C16H17Cl2N3O3S — CID 9098781

IUPAC2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CNc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H17Cl2N3O3S/c1-21(2)25(23,24)13-5-3-4-12(8-13)20-16(22)10-19-11-6-7-14(17)15(18)9-11/h3-9,19H,10H2,1-2H3,(H,20,22)
InChIKeyWZFSPRXNLMTUQE-UHFFFAOYSA-N
MW402.30 g/mol
LogP3.29
Rot. Bonds6

About 2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 9098781) has the molecular formula C16H17Cl2N3O3S and a molecular weight of 402.30 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID9098781
Molecular FormulaC16H17Cl2N3O3S
Molecular Weight402.30 g/mol
Exact Mass401.04
IUPAC Name2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CNc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H17Cl2N3O3S/c1-21(2)25(23,24)13-5-3-4-12(8-13)20-16(22)10-19-11-6-7-14(17)15(18)9-11/h3-9,19H,10H2,1-2H3,(H,20,22)
InChIKeyWZFSPRXNLMTUQE-UHFFFAOYSA-N
XLogP3.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
2-(2,5-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 26416969
N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 9084347
N-(3,5-dimethylphenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 4879510
1-(3,4-dichlorophenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 3962779
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 16553103
2-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51157673
2-(4-chloro-2-methoxy-5-methylanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 55345496
N-(3-chloro-4-methylphenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100486
2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide
CID 9084353
3-[2-(3-chloro-4-methylanilino)acetyl]-N,N-dimethylbenzenesulfonamide
CID 110824420
2-[1-(2-chlorophenyl)ethylamino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51171745

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 9098781) is 2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is WZFSPRXNLMTUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3S/c1-21(2)25(23,24)13-5-3-4-12(8-13)20-16(22)10-19-11-6-7-14(17)15(18)9-11/h3-9,19H,10H2,1-2H3,(H,20,22).
What are the key properties of 2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 402.30 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 9098781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).