N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide

C17H25N3O5S2 — CID 25163803

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCN1CCN(S(=O)(=O)c2cccc(C(=O)NC3(C)CCS(=O)(=O)C3)c2)CC1
InChIInChI=1S/C17H25N3O5S2/c1-17(6-11-26(22,23)13-17)18-16(21)14-4-3-5-15(12-14)27(24,25)20-9-7-19(2)8-10-20/h3-5,12H,6-11,13H2,1-2H3,(H,18,21)
InChIKeyFXAKVUXDIZNPEK-UHFFFAOYSA-N
MW415.54 g/mol
LogP-0.07
Rot. Bonds4

About N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide

N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 25163803) has the molecular formula C17H25N3O5S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
PubChem CID25163803
Molecular FormulaC17H25N3O5S2
Molecular Weight415.54 g/mol
Exact Mass415.12
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCN1CCN(S(=O)(=O)c2cccc(C(=O)NC3(C)CCS(=O)(=O)C3)c2)CC1
InChIInChI=1S/C17H25N3O5S2/c1-17(6-11-26(22,23)13-17)18-16(21)14-4-3-5-15(12-14)27(24,25)20-9-7-19(2)8-10-20/h3-5,12H,6-11,13H2,1-2H3,(H,18,21)
InChIKeyFXAKVUXDIZNPEK-UHFFFAOYSA-N
XLogP-0.07
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide 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-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide (CID 25163803) is N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide is CN1CCN(S(=O)(=O)c2cccc(C(=O)NC3(C)CCS(=O)(=O)C3)c2)CC1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is FXAKVUXDIZNPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S2/c1-17(6-11-26(22,23)13-17)18-16(21)14-4-3-5-15(12-14)27(24,25)20-9-7-19(2)8-10-20/h3-5,12H,6-11,13H2,1-2H3,(H,18,21).
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 415.54 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 25163803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).