N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide

C15H20ClN3O4S — CID 2106881

IUPACN-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClN3O4S/c1-11(17-12(2)20)15(21)18-7-9-19(10-8-18)24(22,23)14-5-3-13(16)4-6-14/h3-6,11H,7-10H2,1-2H3,(H,17,20)/t11-/m0/s1
InChIKeyZWDYUHYAVBHONU-NSHDSACASA-N
MW373.86 g/mol
LogP0.70
Rot. Bonds4

About N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide

N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 2106881) has the molecular formula C15H20ClN3O4S and a molecular weight of 373.86 g/mol. Its IUPAC name is N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide
PubChem CID2106881
Molecular FormulaC15H20ClN3O4S
Molecular Weight373.86 g/mol
Exact Mass373.09
IUPAC NameN-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H20ClN3O4S/c1-11(17-12(2)20)15(21)18-7-9-19(10-8-18)24(22,23)14-5-3-13(16)4-6-14/h3-6,11H,7-10H2,1-2H3,(H,17,20)/t11-/m0/s1
InChIKeyZWDYUHYAVBHONU-NSHDSACASA-N
XLogP0.70
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorobenzene)(2-methylpropyl)sulfonamido]-N-hydroxyacetamide
CID 10853176
4-chloro-N-methyl-N-[2-oxo-2-(piperidin-1-yl)ethyl]benzenesulfonamide
CID 804119
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylethyl)acetamide
CID 2419857
1-[4-(4-Chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 2572434
4-Chloro-N-(1-methyl-2-morpholin-4-yl-2-oxo-ethyl)-benzenesulfonamide
CID 2955346
2-[(3-chlorophenyl)sulfonyl-methylamino]-N-cyclopentylacetamide
CID 4788586
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3-morpholin-4-ylpropyl)acetamide
CID 5178492
4-((2-Chlorophenyl)sulfonyl)piperazin-2-one
CID 7509966
(2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7869973
Ethyl 2-(1-(4-chlorophenylsulfonyl)-3-oxopiperazin-2-yl)acetate
CID 3841625
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 11111892
4-chloro-N-(3-methylbutyl)-N-[(3R)-2-oxoazepan-3-yl]benzenesulfonamide
CID 44444081

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide (CID 2106881) is N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide is CC(=O)N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is ZWDYUHYAVBHONU-NSHDSACASA-N. The full InChI is InChI=1S/C15H20ClN3O4S/c1-11(17-12(2)20)15(21)18-7-9-19(10-8-18)24(22,23)14-5-3-13(16)4-6-14/h3-6,11H,7-10H2,1-2H3,(H,17,20)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide?
N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 373.86 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 2106881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).