4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide

C20H29N5O4S — CID 146242989

IUPAC4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN1CCN(c2nc(CCCO)cn(-c3ccc(S(=O)(=O)N(C)C)cc3)c2=O)CC1
InChIInChI=1S/C20H29N5O4S/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/h6-9,15,26H,4-5,10-14H2,1-3H3
InChIKeyUJWNCUUXZLVFLD-UHFFFAOYSA-N
MW435.55 g/mol
LogP0.16
Rot. Bonds7

About 4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide

4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 146242989) has the molecular formula C20H29N5O4S and a molecular weight of 435.55 g/mol. Its IUPAC name is 4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID146242989
Molecular FormulaC20H29N5O4S
Molecular Weight435.55 g/mol
Exact Mass435.19
IUPAC Name4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide
SMILESCN1CCN(c2nc(CCCO)cn(-c3ccc(S(=O)(=O)N(C)C)cc3)c2=O)CC1
InChIInChI=1S/C20H29N5O4S/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/h6-9,15,26H,4-5,10-14H2,1-3H3
InChIKeyUJWNCUUXZLVFLD-UHFFFAOYSA-N
XLogP0.16
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide (CID 146242989) is 4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide is CN1CCN(c2nc(CCCO)cn(-c3ccc(S(=O)(=O)N(C)C)cc3)c2=O)CC1.
What is the InChIKey of 4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is UJWNCUUXZLVFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O4S/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/h6-9,15,26H,4-5,10-14H2,1-3H3.
What are the key properties of 4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide?
4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 435.55 g/mol, XLogP of 0.16, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-hydroxypropyl)-3-(4-methylpiperazin-1-yl)-2-oxopyrazin-1-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 146242989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).