N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide

C20H27N5O4S — CID 146243050

IUPACN,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide
SMILESCN1CCN(c2nc(CCC=O)cn(-c3ccc(S(=O)(=O)N(C)C)cc3)c2=O)CC1
InChIInChI=1S/C20H27N5O4S/c1-22(2)30(28,29)18-8-6-17(7-9-18)25-15-16(5-4-14-26)21-19(20(25)27)24-12-10-23(3)11-13-24/h6-9,14-15H,4-5,10-13H2,1-3H3
InChIKeySVHSIJFXWGDFQC-UHFFFAOYSA-N
MW433.53 g/mol
LogP0.37
Rot. Bonds7

About N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide

N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide (PubChem CID 146243050) has the molecular formula C20H27N5O4S and a molecular weight of 433.53 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide
PubChem CID146243050
Molecular FormulaC20H27N5O4S
Molecular Weight433.53 g/mol
Exact Mass433.18
IUPAC NameN,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide
SMILESCN1CCN(c2nc(CCC=O)cn(-c3ccc(S(=O)(=O)N(C)C)cc3)c2=O)CC1
InChIInChI=1S/C20H27N5O4S/c1-22(2)30(28,29)18-8-6-17(7-9-18)25-15-16(5-4-14-26)21-19(20(25)27)24-12-10-23(3)11-13-24/h6-9,14-15H,4-5,10-13H2,1-3H3
InChIKeySVHSIJFXWGDFQC-UHFFFAOYSA-N
XLogP0.37
TPSA95.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-Fluorophenyl)-6-(4-methylsulfonylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal
CID 146242973
3-[4-(4-Fluorophenyl)-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal
CID 146243015
1-(4-Fluorophenyl)-5-(3-methoxypropyl)-3-(4-methylsulfonylpiperazin-1-yl)pyrazin-2-one
CID 156284939
3-[4-(4-Fluorophenyl)-6-(4-methylsulfanylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanal
CID 153363078
1-[4-[4-(5-fluoro-4-methyl-6-oxo-5H-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 168002101
N-[4-[methyl-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]sulfamoyl]phenyl]acetamide
CID 41668820
Ethyl 3-[4-[4-(dimethylsulfamoyl)phenyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]propanoate
CID 146242951
4-[4-[4-(Dimethylsulfamoyl)phenyl]-6-(3-ethoxy-3-oxopropyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylic acid
CID 146242963
3-[4-(4-Methylsulfonylphenyl)-6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-5-oxopyrazin-2-yl]propanal
CID 146242986
4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide
CID 146242989
(E)-3-[4-[4-(dimethylsulfamoyl)phenyl]-6-(4-methylpiperazin-1-yl)-5-oxopyrazin-2-yl]prop-2-enoic acid
CID 146242999
4-[4-[4-(Dimethylsulfamoyl)phenyl]-6-(3-hydroxypropyl)-3-oxopyrazin-2-yl]piperazine-1-carboxylic acid
CID 146243076

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide (CID 146243050) is N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide is CN1CCN(c2nc(CCC=O)cn(-c3ccc(S(=O)(=O)N(C)C)cc3)c2=O)CC1.
What is the InChIKey of N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide?
The InChIKey is SVHSIJFXWGDFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4S/c1-22(2)30(28,29)18-8-6-17(7-9-18)25-15-16(5-4-14-26)21-19(20(25)27)24-12-10-23(3)11-13-24/h6-9,14-15H,4-5,10-13H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide?
N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide has a molecular weight of 433.53 g/mol, XLogP of 0.37, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(4-methylpiperazin-1-yl)-2-oxo-5-(3-oxopropyl)pyrazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 146243050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).