N,N-dimethyl-4-[2-(3-methylphenyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide

C20H23N3O4S — CID 110657549

IUPACN,N-dimethyl-4-[2-(3-methylphenyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide
SMILESCc1cccc(C2C(=O)NCCN2C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C20H23N3O4S/c1-14-5-4-6-16(13-14)18-19(24)21-11-12-23(18)20(25)15-7-9-17(10-8-15)28(26,27)22(2)3/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)
InChIKeyFSPPQIRAGAOBQL-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.56
Rot. Bonds4

About N,N-dimethyl-4-[2-(3-methylphenyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide

N,N-dimethyl-4-[2-(3-methylphenyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide (PubChem CID 110657549) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(3-methylphenyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(3-methylphenyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide
PubChem CID110657549
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN,N-dimethyl-4-[2-(3-methylphenyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide
SMILESCc1cccc(C2C(=O)NCCN2C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1
InChIInChI=1S/C20H23N3O4S/c1-14-5-4-6-16(13-14)18-19(24)21-11-12-23(18)20(25)15-7-9-17(10-8-15)28(26,27)22(2)3/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)
InChIKeyFSPPQIRAGAOBQL-UHFFFAOYSA-N
XLogP1.56
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 110656831
3-(3-chlorophenyl)-4-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-2-one
CID 110656832
3-(3-methylphenyl)-4-(morpholine-4-carbonyl)piperazin-2-one
CID 110657586
3-(3-methylphenyl)-4-methylsulfonylpiperazin-2-one
CID 110657603
2-[2-[2-(3-methylphenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110657548
3-(3-methylphenyl)-4-[(3-methylphenyl)methylsulfonyl]piperazin-2-one
CID 110657643
4-(3-chloro-4-methylphenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
CID 110657640
4-(3,4-dichlorophenyl)sulfonyl-3-(3-methylphenyl)piperazin-2-one
CID 110657623
4-[4-(4-methylpyrazol-1-yl)benzoyl]-3-phenylpiperazin-2-one
CID 126802300
4-(3,4-dimethoxybenzoyl)-3-phenylpiperazin-2-one
CID 110644585
3-(3-chlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-2-one
CID 110656807
3-(3-fluorophenyl)-4-[4-(2-methyltetrazol-5-yl)benzoyl]piperazin-2-one
CID 77090341

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(3-methylphenyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-(3-methylphenyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide (CID 110657549) is N,N-dimethyl-4-[2-(3-methylphenyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(3-methylphenyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-(3-methylphenyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide is Cc1cccc(C2C(=O)NCCN2C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1.
What is the InChIKey of N,N-dimethyl-4-[2-(3-methylphenyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is FSPPQIRAGAOBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-14-5-4-6-16(13-14)18-19(24)21-11-12-23(18)20(25)15-7-9-17(10-8-15)28(26,27)22(2)3/h4-10,13,18H,11-12H2,1-3H3,(H,21,24).
What are the key properties of N,N-dimethyl-4-[2-(3-methylphenyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide?
N,N-dimethyl-4-[2-(3-methylphenyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 401.49 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(3-methylphenyl)-3-oxopiperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 110657549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).