3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide

C19H23N3O3S2 — CID 24820084

IUPAC3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C19H23N3O3S2/c1-21-10-12-22(13-11-21)27(24,25)16-7-5-6-15(14-16)19(23)20-17-8-3-4-9-18(17)26-2/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChIKeyDQKGIHDLVATZIM-UHFFFAOYSA-N
MW405.55 g/mol
LogP2.60
Rot. Bonds5

About 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide

3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide (PubChem CID 24820084) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide
PubChem CID24820084
Molecular FormulaC19H23N3O3S2
Molecular Weight405.55 g/mol
Exact Mass405.12
IUPAC Name3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide
SMILESCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C19H23N3O3S2/c1-21-10-12-22(13-11-21)27(24,25)16-7-5-6-15(14-16)19(23)20-17-8-3-4-9-18(17)26-2/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChIKeyDQKGIHDLVATZIM-UHFFFAOYSA-N
XLogP2.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide (CID 24820084) is 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide is CSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide?
The InChIKey is DQKGIHDLVATZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c1-21-10-12-22(13-11-21)27(24,25)16-7-5-6-15(14-16)19(23)20-17-8-3-4-9-18(17)26-2/h3-9,14H,10-13H2,1-2H3,(H,20,23).
What are the key properties of 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide?
3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide has a molecular weight of 405.55 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)sulfonyl-N-(2-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 24820084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).