2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide

C19H22ClN3O3S2 — CID 2963778

IUPAC2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
SMILESCS(=O)(=O)N1CCN(c2ccccc2NC(=O)CSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22ClN3O3S2/c1-28(25,26)23-12-10-22(11-13-23)18-5-3-2-4-17(18)21-19(24)14-27-16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyCULQEFVJYMPVNH-UHFFFAOYSA-N
MW439.99 g/mol
LogP3.15
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide

2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide (PubChem CID 2963778) has the molecular formula C19H22ClN3O3S2 and a molecular weight of 439.99 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
PubChem CID2963778
Molecular FormulaC19H22ClN3O3S2
Molecular Weight439.99 g/mol
Exact Mass439.08
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
SMILESCS(=O)(=O)N1CCN(c2ccccc2NC(=O)CSc2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H22ClN3O3S2/c1-28(25,26)23-12-10-22(11-13-23)18-5-3-2-4-17(18)21-19(24)14-27-16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyCULQEFVJYMPVNH-UHFFFAOYSA-N
XLogP3.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.99
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}-N-(2,4-difluorophenyl)acetamide
CID 3245716
N-(2-{[(4-chlorophenyl)sulfonyl]amino}phenyl)acetamide
CID 873668
2-(4-Chloro-phenylsulfanyl)-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-acetamide
CID 1087191
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2413278
1-[2-(4-Chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea
CID 2818820
2-(4-acetylpiperazin-1-yl)-N-[2-(4-chlorophenyl)sulfanylphenyl]acetamide
CID 4043438
3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 4780661
3-(4-Chlorophenyl)sulfonyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 4791754
N-[3-[4-(3-chlorophenyl)piperazino]propyl]-1-(4-chlorophenyl)sulfonyl-cyclopropanecarboxamide
CID 9550802
[1-(4-Chlorophenyl)sulfonylcyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 22429127
3-[4-(4-Chlorobenzenesulfonyl)piperazin-1-YL]-N-(4-fluorophenyl)propanamide
CID 16003301
4-(4-Chlorobenzenesulfonyl)-1,2,3,4-tetrahydroquinoxalin-2-one
CID 1093239

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide (CID 2963778) is 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide is CS(=O)(=O)N1CCN(c2ccccc2NC(=O)CSc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is CULQEFVJYMPVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S2/c1-28(25,26)23-12-10-22(11-13-23)18-5-3-2-4-17(18)21-19(24)14-27-16-8-6-15(20)7-9-16/h2-9H,10-14H2,1H3,(H,21,24).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 439.99 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 2963778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).