4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide

C19H23N3O3S — CID 6461347

IUPAC4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C19H23N3O3S/c1-15-8-9-16(19(23)20-17-6-4-3-5-7-17)14-18(15)26(24,25)22-12-10-21(2)11-13-22/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChIKeyXQLHWMUARORELP-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.18
Rot. Bonds4

About 4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide

4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide (PubChem CID 6461347) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide
PubChem CID6461347
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C19H23N3O3S/c1-15-8-9-16(19(23)20-17-6-4-3-5-7-17)14-18(15)26(24,25)22-12-10-21(2)11-13-22/h3-9,14H,10-13H2,1-2H3,(H,20,23)
InChIKeyXQLHWMUARORELP-UHFFFAOYSA-N
XLogP2.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-{4-[(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)methyl]phenyl}benzamide
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N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide?
The IUPAC name of 4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide (CID 6461347) is 4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide.
What is the SMILES notation for 4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide?
The canonical SMILES for 4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide is Cc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of 4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide?
The InChIKey is XQLHWMUARORELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-15-8-9-16(19(23)20-17-6-4-3-5-7-17)14-18(15)26(24,25)22-12-10-21(2)11-13-22/h3-9,14H,10-13H2,1-2H3,(H,20,23).
What are the key properties of 4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide?
4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide has a molecular weight of 373.48 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-methylpiperazin-1-yl)sulfonyl-N-phenylbenzamide is sourced from PubChem (CID 6461347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).