2-[(2S)-1-(4-cyanophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2,5-dichlorophenyl)acetamide

C19H16Cl2N4O4S — CID 6976024

IUPAC2-[(2S)-1-(4-cyanophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2,5-dichlorophenyl)acetamide
SMILESN#Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H16Cl2N4O4S/c20-13-3-6-15(21)16(9-13)24-18(26)10-17-19(27)23-7-8-25(17)30(28,29)14-4-1-12(11-22)2-5-14/h1-6,9,17H,7-8,10H2,(H,23,27)(H,24,26)/t17-/m0/s1
InChIKeyLAHIUNNIJZMTJF-KRWDZBQOSA-N
MW467.33 g/mol
LogP2.38
Rot. Bonds5

About 2-[(2S)-1-(4-cyanophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2,5-dichlorophenyl)acetamide

2-[(2S)-1-(4-cyanophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2,5-dichlorophenyl)acetamide (PubChem CID 6976024) has the molecular formula C19H16Cl2N4O4S and a molecular weight of 467.33 g/mol. Its IUPAC name is 2-[(2S)-1-(4-cyanophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-1-(4-cyanophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2,5-dichlorophenyl)acetamide
PubChem CID6976024
Molecular FormulaC19H16Cl2N4O4S
Molecular Weight467.33 g/mol
Exact Mass466.03
IUPAC Name2-[(2S)-1-(4-cyanophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2,5-dichlorophenyl)acetamide
SMILESN#Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C19H16Cl2N4O4S/c20-13-3-6-15(21)16(9-13)24-18(26)10-17-19(27)23-7-8-25(17)30(28,29)14-4-1-12(11-22)2-5-14/h1-6,9,17H,7-8,10H2,(H,23,27)(H,24,26)/t17-/m0/s1
InChIKeyLAHIUNNIJZMTJF-KRWDZBQOSA-N
XLogP2.38
TPSA119.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-cyclopropylacetamide
CID 42653788
2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide
CID 42655918
2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide
CID 143068313
2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 39311068
ethyl 2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 1479023
(3R)-4-(4-chlorophenyl)sulfonyl-3-prop-2-ynylpiperazin-2-one
CID 86604871
2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 66756006
methyl 2-[(2S)-1-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8560905
2-[(2S)-1-(4-acetamidophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 51718679
2-[(2R)-1-(3,4-dimethylphenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
CID 92710403
2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(6-ethenyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 69077821
methyl 2-[(2R)-1-(4-bromophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 25402199

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(4-cyanophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[(2S)-1-(4-cyanophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2,5-dichlorophenyl)acetamide (CID 6976024) is 2-[(2S)-1-(4-cyanophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(2S)-1-(4-cyanophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(2S)-1-(4-cyanophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2,5-dichlorophenyl)acetamide is N#Cc1ccc(S(=O)(=O)N2CCNC(=O)[C@@H]2CC(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 2-[(2S)-1-(4-cyanophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is LAHIUNNIJZMTJF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H16Cl2N4O4S/c20-13-3-6-15(21)16(9-13)24-18(26)10-17-19(27)23-7-8-25(17)30(28,29)14-4-1-12(11-22)2-5-14/h1-6,9,17H,7-8,10H2,(H,23,27)(H,24,26)/t17-/m0/s1.
What are the key properties of 2-[(2S)-1-(4-cyanophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2,5-dichlorophenyl)acetamide?
2-[(2S)-1-(4-cyanophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 467.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(4-cyanophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 6976024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).