2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

C19H21Cl2N3O3S — CID 42069796

IUPAC2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CNc1cccc(Cl)c1Cl)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H21Cl2N3O3S/c20-16-5-4-6-17(19(16)21)22-13-18(25)23-14-7-9-15(10-8-14)28(26,27)24-11-2-1-3-12-24/h4-10,22H,1-3,11-13H2,(H,23,25)
InChIKeyYNBMYTBCNATJTB-UHFFFAOYSA-N
MW442.37 g/mol
LogP4.22
Rot. Bonds6

About 2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 42069796) has the molecular formula C19H21Cl2N3O3S and a molecular weight of 442.37 g/mol. Its IUPAC name is 2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID42069796
Molecular FormulaC19H21Cl2N3O3S
Molecular Weight442.37 g/mol
Exact Mass441.07
IUPAC Name2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
SMILESO=C(CNc1cccc(Cl)c1Cl)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H21Cl2N3O3S/c20-16-5-4-6-17(19(16)21)22-13-18(25)23-14-7-9-15(10-8-14)28(26,27)24-11-2-1-3-12-24/h4-10,22H,1-3,11-13H2,(H,23,25)
InChIKeyYNBMYTBCNATJTB-UHFFFAOYSA-N
XLogP4.22
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.37
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dimethylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9080738
2-(naphthalen-1-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9082352
2-(2-chloro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9099375
N-(3-chloro-2-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083596
2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109010505
2-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9080500
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9098739
N-(4-chlorophenyl)-2-(2,3-dichloroanilino)acetamide
CID 29039257
N-(2-fluorophenyl)-2-(4-piperidin-1-ylsulfonylanilino)acetamide
CID 9083962
2-(2-fluoro-4-methylanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 9100939
[2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 2,6-dichlorobenzoate
CID 2489065

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide (CID 42069796) is 2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is O=C(CNc1cccc(Cl)c1Cl)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is YNBMYTBCNATJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O3S/c20-16-5-4-6-17(19(16)21)22-13-18(25)23-14-7-9-15(10-8-14)28(26,27)24-11-2-1-3-12-24/h4-10,22H,1-3,11-13H2,(H,23,25).
What are the key properties of 2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide?
2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 442.37 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroanilino)-N-(4-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 42069796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).