N-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide

C16H15Cl3N2O3S — CID 2223877

IUPACN-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C16H15Cl3N2O3S/c1-10-4-3-5-11(6-10)20-16(22)9-21(25(2,23)24)15-8-13(18)12(17)7-14(15)19/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyASGNDTSEYOIRAT-UHFFFAOYSA-N
MW421.73 g/mol
LogP4.36
Rot. Bonds5

About N-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide

N-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide (PubChem CID 2223877) has the molecular formula C16H15Cl3N2O3S and a molecular weight of 421.73 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
PubChem CID2223877
Molecular FormulaC16H15Cl3N2O3S
Molecular Weight421.73 g/mol
Exact Mass419.99
IUPAC NameN-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C16H15Cl3N2O3S/c1-10-4-3-5-11(6-10)20-16(22)9-21(25(2,23)24)15-8-13(18)12(17)7-14(15)19/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyASGNDTSEYOIRAT-UHFFFAOYSA-N
XLogP4.36
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.73
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343168
N-(3-acetylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 1249861
N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 3272456
2-(2-tert-butyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 113154589
N-(2,3-dichlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 2233147
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1322792
N-(3-bromophenyl)-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 2290391
2-(4-iodo-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 1326606
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343143
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 1308135
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 126413055
2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 51343169

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide (CID 2223877) is N-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide is Cc1cccc(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
The InChIKey is ASGNDTSEYOIRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N2O3S/c1-10-4-3-5-11(6-10)20-16(22)9-21(25(2,23)24)15-8-13(18)12(17)7-14(15)19/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of N-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide?
N-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide has a molecular weight of 421.73 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 2223877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).