N-(4-acetamidophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide

C17H17Cl2N3O4S — CID 1314405

IUPACN-(4-acetamidophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C17H17Cl2N3O4S/c1-11(23)20-13-4-6-14(7-5-13)21-17(24)10-22(27(2,25)26)16-9-12(18)3-8-15(16)19/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyRCGBNMMACDIJED-UHFFFAOYSA-N
MW430.31 g/mol
LogP3.36
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide

N-(4-acetamidophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide (PubChem CID 1314405) has the molecular formula C17H17Cl2N3O4S and a molecular weight of 430.31 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
PubChem CID1314405
Molecular FormulaC17H17Cl2N3O4S
Molecular Weight430.31 g/mol
Exact Mass429.03
IUPAC NameN-(4-acetamidophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C17H17Cl2N3O4S/c1-11(23)20-13-4-6-14(7-5-13)21-17(24)10-22(27(2,25)26)16-9-12(18)3-8-15(16)19/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyRCGBNMMACDIJED-UHFFFAOYSA-N
XLogP3.36
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.31
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide (CID 1314405) is N-(4-acetamidophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide is CC(=O)Nc1ccc(NC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
The InChIKey is RCGBNMMACDIJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O4S/c1-11(23)20-13-4-6-14(7-5-13)21-17(24)10-22(27(2,25)26)16-9-12(18)3-8-15(16)19/h3-9H,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-acetamidophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
N-(4-acetamidophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide has a molecular weight of 430.31 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1314405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).