N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide

C23H31N5O3S — CID 55359411

IUPACN-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCN1CCN(c2ccccc2NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1
InChIInChI=1S/C23H31N5O3S/c1-25-10-14-27(15-11-25)22-9-4-3-8-21(22)24-23(29)19-6-5-7-20(18-19)32(30,31)28-16-12-26(2)13-17-28/h3-9,18H,10-17H2,1-2H3,(H,24,29)
InChIKeySMAYYWYAXXQTDB-UHFFFAOYSA-N
MW457.60 g/mol
LogP1.63
Rot. Bonds5

About N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide

N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 55359411) has the molecular formula C23H31N5O3S and a molecular weight of 457.60 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
PubChem CID55359411
Molecular FormulaC23H31N5O3S
Molecular Weight457.60 g/mol
Exact Mass457.21
IUPAC NameN-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCN1CCN(c2ccccc2NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1
InChIInChI=1S/C23H31N5O3S/c1-25-10-14-27(15-11-25)22-9-4-3-8-21(22)24-23(29)19-6-5-7-20(18-19)32(30,31)28-16-12-26(2)13-17-28/h3-9,18H,10-17H2,1-2H3,(H,24,29)
InChIKeySMAYYWYAXXQTDB-UHFFFAOYSA-N
XLogP1.63
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-acetylpiperazin-1-yl)sulfonyl-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 43024824
N-[2-(4-methylpiperazin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16557461
N-(2-ethylsulfonylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55612909
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 2714735
N-(3-chloro-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 31507527
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 24979269
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-methylsulfonylbenzamide
CID 57327123
3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide
CID 57327062
N-(3-acetylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 30795599
methyl 3-[[3-(4-methylpiperazin-1-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate
CID 55413152
3-[(dimethylamino)methyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 57327086
N-(3-iodo-4-methylphenyl)-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 29295525

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide (CID 55359411) is N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide is CN1CCN(c2ccccc2NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is SMAYYWYAXXQTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O3S/c1-25-10-14-27(15-11-25)22-9-4-3-8-21(22)24-23(29)19-6-5-7-20(18-19)32(30,31)28-16-12-26(2)13-17-28/h3-9,18H,10-17H2,1-2H3,(H,24,29).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 457.60 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)phenyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55359411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).