N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide

C20H21Cl2N3O4S — CID 26893607

IUPACN-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C20H21Cl2N3O4S/c21-15-6-9-17(22)18(12-15)24-19(26)13-23-20(27)14-4-7-16(8-5-14)30(28,29)25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2,(H,23,27)(H,24,26)
InChIKeyYQOMJEBQSRZNIO-UHFFFAOYSA-N
MW470.38 g/mol
LogP3.54
Rot. Bonds6

About N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 26893607) has the molecular formula C20H21Cl2N3O4S and a molecular weight of 470.38 g/mol. Its IUPAC name is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID26893607
Molecular FormulaC20H21Cl2N3O4S
Molecular Weight470.38 g/mol
Exact Mass469.06
IUPAC NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C20H21Cl2N3O4S/c21-15-6-9-17(22)18(12-15)24-19(26)13-23-20(27)14-4-7-16(8-5-14)30(28,29)25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2,(H,23,27)(H,24,26)
InChIKeyYQOMJEBQSRZNIO-UHFFFAOYSA-N
XLogP3.54
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.38
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 25498510
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 42905167
4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide
CID 8759383
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
N-(2-anilino-2-oxoethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 112507310
N-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
CID 55345481
N-(2,5-dichlorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 30378930
4-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 9049941
N-[2-[2-[(3,4-dichlorophenyl)carbamothioyl]hydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4079300
4-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]benzamide
CID 5135953
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(tert-butylamino)acetamide
CID 17409340
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide (CID 26893607) is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide is O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is YQOMJEBQSRZNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3O4S/c21-15-6-9-17(22)18(12-15)24-19(26)13-23-20(27)14-4-7-16(8-5-14)30(28,29)25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2,(H,23,27)(H,24,26).
What are the key properties of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide?
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 470.38 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 26893607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).