N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

C21H26N2O6S2 — CID 55383504

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)c1
InChIInChI=1S/C21H26N2O6S2/c1-3-30(26,27)17-10-11-20(24)19(14-17)22-21(25)16-8-6-9-18(13-16)31(28,29)23-12-5-4-7-15(23)2/h6,8-11,13-15,24H,3-5,7,12H2,1-2H3,(H,22,25)
InChIKeyWAWMPVGRLCMDOV-UHFFFAOYSA-N
MW466.58 g/mol
LogP3.00
Rot. Bonds6

About N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 55383504) has the molecular formula C21H26N2O6S2 and a molecular weight of 466.58 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID55383504
Molecular FormulaC21H26N2O6S2
Molecular Weight466.58 g/mol
Exact Mass466.12
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)c1
InChIInChI=1S/C21H26N2O6S2/c1-3-30(26,27)17-10-11-20(24)19(14-17)22-21(25)16-8-6-9-18(13-16)31(28,29)23-12-5-4-7-15(23)2/h6,8-11,13-15,24H,3-5,7,12H2,1-2H3,(H,22,25)
InChIKeyWAWMPVGRLCMDOV-UHFFFAOYSA-N
XLogP3.00
TPSA120.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9411283
N-(5-chloro-2-methylphenyl)-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 8502363
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085937
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263
N-(3-fluoro-5-sulfamoylphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55979789
4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 4843950
N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
N'-methyl-3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N'-phenylbenzohydrazide
CID 9479993
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 11932722
N-(4-hydroxycyclohexyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 78767659
N-(6-amino-3-pyridinyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119516218

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 55383504) is N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3C)c2)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is WAWMPVGRLCMDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S2/c1-3-30(26,27)17-10-11-20(24)19(14-17)22-21(25)16-8-6-9-18(13-16)31(28,29)23-12-5-4-7-15(23)2/h6,8-11,13-15,24H,3-5,7,12H2,1-2H3,(H,22,25).
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 466.58 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-hydroxyphenyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 55383504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).