N-[2,3-dimethoxy-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide

C15H23N3O5S — CID 119470818

IUPACN-[2,3-dimethoxy-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCOc1cc(C(=O)N2CCNCC2C)cc(NS(C)(=O)=O)c1OC
InChIInChI=1S/C15H23N3O5S/c1-10-9-16-5-6-18(10)15(19)11-7-12(17-24(4,20)21)14(23-3)13(8-11)22-2/h7-8,10,16-17H,5-6,9H2,1-4H3
InChIKeyJFVCIMCJXQZODC-UHFFFAOYSA-N
MW357.43 g/mol
LogP0.51
Rot. Bonds5

About N-[2,3-dimethoxy-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide

N-[2,3-dimethoxy-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 119470818) has the molecular formula C15H23N3O5S and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[2,3-dimethoxy-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2,3-dimethoxy-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide
PubChem CID119470818
Molecular FormulaC15H23N3O5S
Molecular Weight357.43 g/mol
Exact Mass357.14
IUPAC NameN-[2,3-dimethoxy-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCOc1cc(C(=O)N2CCNCC2C)cc(NS(C)(=O)=O)c1OC
InChIInChI=1S/C15H23N3O5S/c1-10-9-16-5-6-18(10)15(19)11-7-12(17-24(4,20)21)14(23-3)13(8-11)22-2/h7-8,10,16-17H,5-6,9H2,1-4H3
InChIKeyJFVCIMCJXQZODC-UHFFFAOYSA-N
XLogP0.51
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2,3-dimethoxy-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dimethoxy-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2,3-dimethoxy-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide (CID 119470818) is N-[2,3-dimethoxy-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2,3-dimethoxy-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2,3-dimethoxy-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide is COc1cc(C(=O)N2CCNCC2C)cc(NS(C)(=O)=O)c1OC.
What is the InChIKey of N-[2,3-dimethoxy-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is JFVCIMCJXQZODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O5S/c1-10-9-16-5-6-18(10)15(19)11-7-12(17-24(4,20)21)14(23-3)13(8-11)22-2/h7-8,10,16-17H,5-6,9H2,1-4H3.
What are the key properties of N-[2,3-dimethoxy-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
N-[2,3-dimethoxy-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 357.43 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dimethoxy-5-(2-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 119470818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).