N-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzamide

C20H25N3O5S — CID 644458

IUPACN-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C20H25N3O5S/c1-22-10-12-23(13-11-22)29(25,26)17-7-4-15(5-8-17)20(24)21-18-14-16(27-2)6-9-19(18)28-3/h4-9,14H,10-13H2,1-3H3,(H,21,24)
InChIKeyJXUQGUMXIAUAAU-UHFFFAOYSA-N
MW419.50 g/mol
LogP1.89
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzamide

N-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 644458) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzamide
PubChem CID644458
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC NameN-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C20H25N3O5S/c1-22-10-12-23(13-11-22)29(25,26)17-7-4-15(5-8-17)20(24)21-18-14-16(27-2)6-9-19(18)28-3/h4-9,14H,10-13H2,1-3H3,(H,21,24)
InChIKeyJXUQGUMXIAUAAU-UHFFFAOYSA-N
XLogP1.89
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzamide (CID 644458) is N-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzamide is COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is JXUQGUMXIAUAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-22-10-12-23(13-11-22)29(25,26)17-7-4-15(5-8-17)20(24)21-18-14-16(27-2)6-9-19(18)28-3/h4-9,14H,10-13H2,1-3H3,(H,21,24).
What are the key properties of N-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzamide?
N-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 419.50 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-4-(4-methylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 644458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).