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

C16H15Cl3N2O3S — CID 27056713

IUPACN-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C16H15Cl3N2O3S/c1-10-3-5-12(8-14(10)19)20-16(22)9-21(25(2,23)24)15-7-11(17)4-6-13(15)18/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyDUMBVYDEDPCKCW-UHFFFAOYSA-N
MW421.73 g/mol
LogP4.36
Rot. Bonds5

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

N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide (PubChem CID 27056713) has the molecular formula C16H15Cl3N2O3S and a molecular weight of 421.73 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
PubChem CID27056713
Molecular FormulaC16H15Cl3N2O3S
Molecular Weight421.73 g/mol
Exact Mass419.99
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1Cl
InChIInChI=1S/C16H15Cl3N2O3S/c1-10-3-5-12(8-14(10)19)20-16(22)9-21(25(2,23)24)15-7-11(17)4-6-13(15)18/h3-8H,9H2,1-2H3,(H,20,22)
InChIKeyDUMBVYDEDPCKCW-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

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Related Compounds

2-(2,5-dichloro-N-methylsulfonylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 1308135
ethyl 2-chloro-4-[[2-(2,5-dichloro-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 43908719
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 23931844
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 1204044
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)acetamide
CID 126034078
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 1322632
N-(4-bromo-3-methylphenyl)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 1288859
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-phenylacetamide
CID 1204030
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 998677
N-(4-chlorophenyl)-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 3272456
N-(3-chloro-4-methylphenyl)-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 126035088
N-(4-bromo-3-methylphenyl)-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 2280606

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide (CID 27056713) is N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide is Cc1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
The InChIKey is DUMBVYDEDPCKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N2O3S/c1-10-3-5-12(8-14(10)19)20-16(22)9-21(25(2,23)24)15-7-11(17)4-6-13(15)18/h3-8H,9H2,1-2H3,(H,20,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
N-(3-chloro-4-methylphenyl)-2-(2,5-dichloro-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-chloro-4-methylphenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 27056713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).