N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide

C25H28N4O6S2 — CID 172831988

IUPACN-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(O)cc3)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C25H28N4O6S2/c1-27(36(2,32)33)24-6-4-3-5-23(24)25(31)26-19-7-13-22(14-8-19)37(34,35)29-17-15-28(16-18-29)20-9-11-21(30)12-10-20/h3-14,30H,15-18H2,1-2H3,(H,26,31)
InChIKeyVQEBCJGSMPHKLZ-UHFFFAOYSA-N
MW544.66 g/mol
LogP2.55
Rot. Bonds7

About N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide

N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 172831988) has the molecular formula C25H28N4O6S2 and a molecular weight of 544.66 g/mol. Its IUPAC name is N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide
PubChem CID172831988
Molecular FormulaC25H28N4O6S2
Molecular Weight544.66 g/mol
Exact Mass544.15
IUPAC NameN-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(O)cc3)CC2)cc1)S(C)(=O)=O
InChIInChI=1S/C25H28N4O6S2/c1-27(36(2,32)33)24-6-4-3-5-23(24)25(31)26-19-7-13-22(14-8-19)37(34,35)29-17-15-28(16-18-29)20-9-11-21(30)12-10-20/h3-14,30H,15-18H2,1-2H3,(H,26,31)
InChIKeyVQEBCJGSMPHKLZ-UHFFFAOYSA-N
XLogP2.55
TPSA127.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.66
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 172857480
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 1007928
N-[4-[4-[3,5-dichloro-4-(2-trimethylsilylethoxymethoxy)phenyl]piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 172800538
N-[4-[4-(3,5-dichlorophenyl)-4-hydroxypiperidin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 172830311
5-(3-aminoprop-1-ynyl)-N-[4-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 172726293
2-fluoro-N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]benzamide
CID 1087170
2-chloro-N-(4-methylphenyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 4857710
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 1048483
N-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 1019171
N-[4-[[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide
CID 4690747
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223
3-methyl-4-[methyl(methylsulfonyl)amino]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100507663

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide (CID 172831988) is N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide is CN(c1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(O)cc3)CC2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is VQEBCJGSMPHKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O6S2/c1-27(36(2,32)33)24-6-4-3-5-23(24)25(31)26-19-7-13-22(14-8-19)37(34,35)29-17-15-28(16-18-29)20-9-11-21(30)12-10-20/h3-14,30H,15-18H2,1-2H3,(H,26,31).
What are the key properties of N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide?
N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 544.66 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 172831988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).