N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide

C21H23Cl2N3O4S — CID 42905167

IUPACN-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C21H23Cl2N3O4S/c1-14-4-2-3-11-26(14)31(29,30)17-8-5-15(6-9-17)21(28)24-13-20(27)25-19-12-16(22)7-10-18(19)23/h5-10,12,14H,2-4,11,13H2,1H3,(H,24,28)(H,25,27)
InChIKeyIUANACVSISVJLS-UHFFFAOYSA-N
MW484.41 g/mol
LogP3.92
Rot. Bonds6

About N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 42905167) has the molecular formula C21H23Cl2N3O4S and a molecular weight of 484.41 g/mol. Its IUPAC name is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID42905167
Molecular FormulaC21H23Cl2N3O4S
Molecular Weight484.41 g/mol
Exact Mass483.08
IUPAC NameN-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCC1CCCCN1S(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C21H23Cl2N3O4S/c1-14-4-2-3-11-26(14)31(29,30)17-8-5-15(6-9-17)21(28)24-13-20(27)25-19-12-16(22)7-10-18(19)23/h5-10,12,14H,2-4,11,13H2,1H3,(H,24,28)(H,25,27)
InChIKeyIUANACVSISVJLS-UHFFFAOYSA-N
XLogP3.92
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 26893607
N-(4-chloro-2-methylphenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8780251
N-(4-chlorophenyl)-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8762440
4-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 25498510
N-(3-chloro-4-fluorophenyl)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9096526
3-(2-methylpiperidin-1-yl)sulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]benzamide
CID 146122746
N-(3-aminopropyl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119408692
N-(5-chloro-2-methylphenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8502363
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
methyl 4-[[[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 40881781
N-[3-(2-methoxyethoxy)propyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55408143
2-(4-chlorophenyl)-N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 19114634

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 42905167) is N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide is CC1CCCCN1S(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is IUANACVSISVJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O4S/c1-14-4-2-3-11-26(14)31(29,30)17-8-5-15(6-9-17)21(28)24-13-20(27)25-19-12-16(22)7-10-18(19)23/h5-10,12,14H,2-4,11,13H2,1H3,(H,24,28)(H,25,27).
What are the key properties of N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 484.41 g/mol, XLogP of 3.92, 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-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 42905167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).