(2S)-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-ethylpropanamide

C15H21Cl2N3O3S — CID 8599567

IUPAC(2S)-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H21Cl2N3O3S/c1-3-18-15(21)11(2)19-7-9-20(10-8-19)24(22,23)14-12(16)5-4-6-13(14)17/h4-6,11H,3,7-10H2,1-2H3,(H,18,21)/t11-/m0/s1
InChIKeyDSBKBVDXGTXCGF-NSHDSACASA-N
MW394.32 g/mol
LogP1.82
Rot. Bonds5

About (2S)-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-ethylpropanamide

(2S)-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-ethylpropanamide (PubChem CID 8599567) has the molecular formula C15H21Cl2N3O3S and a molecular weight of 394.32 g/mol. Its IUPAC name is (2S)-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name(2S)-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-ethylpropanamide
PubChem CID8599567
Molecular FormulaC15H21Cl2N3O3S
Molecular Weight394.32 g/mol
Exact Mass393.07
IUPAC Name(2S)-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C15H21Cl2N3O3S/c1-3-18-15(21)11(2)19-7-9-20(10-8-19)24(22,23)14-12(16)5-4-6-13(14)17/h4-6,11H,3,7-10H2,1-2H3,(H,18,21)/t11-/m0/s1
InChIKeyDSBKBVDXGTXCGF-NSHDSACASA-N
XLogP1.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 46630632
(2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 8689356
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-(ethylcarbamoyl)propanamide
CID 46563112
(2S)-N-ethyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8688391
1-(2,6-dichlorophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide
CID 40630200
N-[(2-chlorophenyl)methyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 24680288
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 55526129
(2S)-2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-N-ethylpropanamide
CID 8599795
(2S)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-N-methylpropanamide
CID 8693885
1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-2-methylpropan-1-one
CID 17440483
(2R)-N-cyclopropyl-2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 8555307
(2S)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 9493354

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-ethylpropanamide?
The IUPAC name of (2S)-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-ethylpropanamide (CID 8599567) is (2S)-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-ethylpropanamide.
What is the SMILES notation for (2S)-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-ethylpropanamide?
The canonical SMILES for (2S)-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-ethylpropanamide is CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of (2S)-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-ethylpropanamide?
The InChIKey is DSBKBVDXGTXCGF-NSHDSACASA-N. The full InChI is InChI=1S/C15H21Cl2N3O3S/c1-3-18-15(21)11(2)19-7-9-20(10-8-19)24(22,23)14-12(16)5-4-6-13(14)17/h4-6,11H,3,7-10H2,1-2H3,(H,18,21)/t11-/m0/s1.
What are the key properties of (2S)-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-ethylpropanamide?
(2S)-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-ethylpropanamide has a molecular weight of 394.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-N-ethylpropanamide is sourced from PubChem (CID 8599567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).