N-(2-ethylsulfonylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide

C20H25N3O5S2 — CID 55612909

IUPACN-(2-ethylsulfonylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C20H25N3O5S2/c1-3-29(25,26)19-10-5-4-9-18(19)21-20(24)16-7-6-8-17(15-16)30(27,28)23-13-11-22(2)12-14-23/h4-10,15H,3,11-14H2,1-2H3,(H,21,24)
InChIKeyJTRDOCLWXBLWRH-UHFFFAOYSA-N
MW451.57 g/mol
LogP1.67
Rot. Bonds6

About N-(2-ethylsulfonylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide

N-(2-ethylsulfonylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 55612909) has the molecular formula C20H25N3O5S2 and a molecular weight of 451.57 g/mol. Its IUPAC name is N-(2-ethylsulfonylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(2-ethylsulfonylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
PubChem CID55612909
Molecular FormulaC20H25N3O5S2
Molecular Weight451.57 g/mol
Exact Mass451.12
IUPAC NameN-(2-ethylsulfonylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C20H25N3O5S2/c1-3-29(25,26)19-10-5-4-9-18(19)21-20(24)16-7-6-8-17(15-16)30(27,28)23-13-11-22(2)12-14-23/h4-10,15H,3,11-14H2,1-2H3,(H,21,24)
InChIKeyJTRDOCLWXBLWRH-UHFFFAOYSA-N
XLogP1.67
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55359411
N-(3-chloro-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 31507527
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 43024824
N-[2-(2-ethylanilino)-2-oxoethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 31288599
ethyl 3-methyl-4-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]benzoate
CID 99969143
N-(3-acetylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 30795599
N-(2-ethylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 55613517
N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 3266532
methyl 3-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate
CID 55413152
N-(3-iodo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 29295525
N-(2-tert-butylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 7688667
N-(2-acetylphenyl)-3-(4-benzylpiperazin-1-yl)sulfonylbenzamide
CID 42993180

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(2-ethylsulfonylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide (CID 55612909) is N-(2-ethylsulfonylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(2-ethylsulfonylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(2-ethylsulfonylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide is CCS(=O)(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1.
What is the InChIKey of N-(2-ethylsulfonylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is JTRDOCLWXBLWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S2/c1-3-29(25,26)19-10-5-4-9-18(19)21-20(24)16-7-6-8-17(15-16)30(27,28)23-13-11-22(2)12-14-23/h4-10,15H,3,11-14H2,1-2H3,(H,21,24).
What are the key properties of N-(2-ethylsulfonylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
N-(2-ethylsulfonylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 451.57 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55612909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).