2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide

C16H15Cl2N3O5S — CID 2226538

IUPAC2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H15Cl2N3O5S/c1-10-13(4-3-5-14(10)21(23)24)19-16(22)9-20(27(2,25)26)15-7-6-11(17)8-12(15)18/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyIVXPINLJYQCALV-UHFFFAOYSA-N
MW432.29 g/mol
LogP3.61
Rot. Bonds6

About 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide

2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 2226538) has the molecular formula C16H15Cl2N3O5S and a molecular weight of 432.29 g/mol. Its IUPAC name is 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID2226538
Molecular FormulaC16H15Cl2N3O5S
Molecular Weight432.29 g/mol
Exact Mass431.01
IUPAC Name2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H15Cl2N3O5S/c1-10-13(4-3-5-14(10)21(23)24)19-16(22)9-20(27(2,25)26)15-7-6-11(17)8-12(15)18/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyIVXPINLJYQCALV-UHFFFAOYSA-N
XLogP3.61
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.29
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-(2,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2712015
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 2712117
3-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 2547725
2-[benzyl-(4-chlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)acetamide
CID 26796718
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 126413987
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 1322632
N-(2,3-dimethylphenyl)-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide
CID 2948916
2-(4-chloro-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26507122
2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide
CID 43012309
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 5036589
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methyl-3-nitrophenyl)acetamide
CID 45372277
2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 27185929

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide (CID 2226538) is 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide is Cc1c(NC(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is IVXPINLJYQCALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O5S/c1-10-13(4-3-5-14(10)21(23)24)19-16(22)9-20(27(2,25)26)15-7-6-11(17)8-12(15)18/h3-8H,9H2,1-2H3,(H,19,22).
What are the key properties of 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide?
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 432.29 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 2226538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).