2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(4-piperidin-1-ylphenyl)acetamide

C25H25Cl2N3O3S — CID 100509312

IUPAC2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C25H25Cl2N3O3S/c26-19-15-20(27)17-23(16-19)30(34(32,33)24-7-3-1-4-8-24)18-25(31)28-21-9-11-22(12-10-21)29-13-5-2-6-14-29/h1,3-4,7-12,15-17H,2,5-6,13-14,18H2,(H,28,31)
InChIKeyMKRFEZGJZXECOJ-UHFFFAOYSA-N
MW518.47 g/mol
LogP5.82
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(4-piperidin-1-ylphenyl)acetamide

2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 100509312) has the molecular formula C25H25Cl2N3O3S and a molecular weight of 518.47 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID100509312
Molecular FormulaC25H25Cl2N3O3S
Molecular Weight518.47 g/mol
Exact Mass517.10
IUPAC Name2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESO=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C25H25Cl2N3O3S/c26-19-15-20(27)17-23(16-19)30(34(32,33)24-7-3-1-4-8-24)18-25(31)28-21-9-11-22(12-10-21)29-13-5-2-6-14-29/h1,3-4,7-12,15-17H,2,5-6,13-14,18H2,(H,28,31)
InChIKeyMKRFEZGJZXECOJ-UHFFFAOYSA-N
XLogP5.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.47
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(N-(4-chlorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510855
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509500
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510895
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100500876
2-[N-(benzenesulfonyl)-4-chloro-3-(trifluoromethyl)anilino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509438
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100511409
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502499
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(3,4-dimethylphenyl)acetamide
CID 30169816
2-(N-(4-ethoxyphenyl)sulfonylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100502060
2-(N-methylsulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100509930
2-[N-(benzenesulfonyl)-2-ethoxyanilino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 100500650
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 100517491

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(4-piperidin-1-ylphenyl)acetamide (CID 100509312) is 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(4-piperidin-1-ylphenyl)acetamide is O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is MKRFEZGJZXECOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O3S/c26-19-15-20(27)17-23(16-19)30(34(32,33)24-7-3-1-4-8-24)18-25(31)28-21-9-11-22(12-10-21)29-13-5-2-6-14-29/h1,3-4,7-12,15-17H,2,5-6,13-14,18H2,(H,28,31).
What are the key properties of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 518.47 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 100509312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).