2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide

C18H18ClN3O4S — CID 42655918

IUPAC2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide
SMILESO=C(CC1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3O4S/c19-13-5-4-6-14(11-13)21-17(23)12-16-18(24)20-9-10-22(16)27(25,26)15-7-2-1-3-8-15/h1-8,11,16H,9-10,12H2,(H,20,24)(H,21,23)
InChIKeyFCVPXUPWZKQVJX-UHFFFAOYSA-N
MW407.88 g/mol
LogP1.86
Rot. Bonds5

About 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide

2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide (PubChem CID 42655918) has the molecular formula C18H18ClN3O4S and a molecular weight of 407.88 g/mol. Its IUPAC name is 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide
PubChem CID42655918
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.88 g/mol
Exact Mass407.07
IUPAC Name2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide
SMILESO=C(CC1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3O4S/c19-13-5-4-6-14(11-13)21-17(23)12-16-18(24)20-9-10-22(16)27(25,26)15-7-2-1-3-8-15/h1-8,11,16H,9-10,12H2,(H,20,24)(H,21,23)
InChIKeyFCVPXUPWZKQVJX-UHFFFAOYSA-N
XLogP1.86
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 39311068
2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 45495296
2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(2-oxochromen-6-yl)acetamide
CID 42656185
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chlorophenyl)acetamide
CID 42065079
2-[(2S)-1-(4-cyanophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2,5-dichlorophenyl)acetamide
CID 6976024
2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-cyclopropylacetamide
CID 42653788
2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(2,2-dimethoxyethyl)acetamide
CID 51718191
(2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 40769227
2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 45494569
2-[(2R)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 51720530
methyl 3-[[2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetyl]amino]propanoate
CID 51716885
2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(furan-2-ylmethyl)acetamide
CID 39350148

Frequently Asked Questions

What is the IUPAC name of 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide (CID 42655918) is 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide is O=C(CC1C(=O)NCCN1S(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide?
The InChIKey is FCVPXUPWZKQVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4S/c19-13-5-4-6-14(11-13)21-17(23)12-16-18(24)20-9-10-22(16)27(25,26)15-7-2-1-3-8-15/h1-8,11,16H,9-10,12H2,(H,20,24)(H,21,23).
What are the key properties of 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide?
2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide has a molecular weight of 407.88 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 42655918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).