2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide

C12H14ClN3O4S — CID 143068313

IUPAC2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide
SMILESNC(=O)CC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3O4S/c13-8-1-3-9(4-2-8)21(19,20)16-6-5-15-12(18)10(16)7-11(14)17/h1-4,10H,5-7H2,(H2,14,17)(H,15,18)
InChIKeyFWAXEESNRWNICK-UHFFFAOYSA-N
MW331.78 g/mol
LogP-0.30
Rot. Bonds4

About 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide

2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide (PubChem CID 143068313) has the molecular formula C12H14ClN3O4S and a molecular weight of 331.78 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide
PubChem CID143068313
Molecular FormulaC12H14ClN3O4S
Molecular Weight331.78 g/mol
Exact Mass331.04
IUPAC Name2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide
SMILESNC(=O)CC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H14ClN3O4S/c13-8-1-3-9(4-2-8)21(19,20)16-6-5-15-12(18)10(16)7-11(14)17/h1-4,10H,5-7H2,(H2,14,17)(H,15,18)
InChIKeyFWAXEESNRWNICK-UHFFFAOYSA-N
XLogP-0.30
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.78
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[(2R)-1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 1479023
2-[3-oxo-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-2-yl]acetamide
CID 141109534
2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-cyclopropylacetamide
CID 42653788
3-methylbutyl 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 17079717
(3R)-4-(4-chlorophenyl)sulfonyl-3-prop-2-ynylpiperazin-2-one
CID 86604871
ethyl 2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 1479019
methyl 2-[1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 17404752
2-[1-(2,4-dichlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 66756006
ethyl 2-[(2S)-1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate
CID 1479034
methyl 2-[(2R)-1-(4-bromophenyl)sulfonyl-3-oxopiperazin-2-yl]acetate
CID 25402199
2-[(2S)-1-(4-cyanophenyl)sulfonyl-3-oxopiperazin-2-yl]-N-(2,5-dichlorophenyl)acetamide
CID 6976024
2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]-N-(3-chlorophenyl)acetamide
CID 42655918

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide (CID 143068313) is 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide is NC(=O)CC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide?
The InChIKey is FWAXEESNRWNICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O4S/c13-8-1-3-9(4-2-8)21(19,20)16-6-5-15-12(18)10(16)7-11(14)17/h1-4,10H,5-7H2,(H2,14,17)(H,15,18).
What are the key properties of 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide?
2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide has a molecular weight of 331.78 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)sulfonyl-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 143068313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).