2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide

C15H21ClN2O6S2 — CID 90592852

IUPAC2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C15H21ClN2O6S2/c1-17-15(19)10-25(20,21)12-5-7-18(8-6-12)26(22,23)14-9-11(16)3-4-13(14)24-2/h3-4,9,12H,5-8,10H2,1-2H3,(H,17,19)
InChIKeyXBGMGMUYFQCTAL-UHFFFAOYSA-N
MW424.93 g/mol
LogP0.66
Rot. Bonds6

About 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide

2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide (PubChem CID 90592852) has the molecular formula C15H21ClN2O6S2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
PubChem CID90592852
Molecular FormulaC15H21ClN2O6S2
Molecular Weight424.93 g/mol
Exact Mass424.05
IUPAC Name2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1
InChIInChI=1S/C15H21ClN2O6S2/c1-17-15(19)10-25(20,21)12-5-7-18(8-6-12)26(22,23)14-9-11(16)3-4-13(14)24-2/h3-4,9,12H,5-8,10H2,1-2H3,(H,17,19)
InChIKeyXBGMGMUYFQCTAL-UHFFFAOYSA-N
XLogP0.66
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592837
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592825
N-butan-2-yl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 113002889
1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone
CID 120705100
methyl 3-[4-[2-(methylamino)-2-oxoethyl]sulfonylpiperidin-1-yl]sulfonylthiophene-2-carboxylate
CID 71809152
(3R)-3-tert-butylsulfonyl-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidine
CID 97427292
4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine
CID 27241340
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 2990214
4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 1106586
[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 110818768
1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole
CID 3291316

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide?
The IUPAC name of 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide (CID 90592852) is 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide.
What is the SMILES notation for 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide?
The canonical SMILES for 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide is CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1.
What is the InChIKey of 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide?
The InChIKey is XBGMGMUYFQCTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O6S2/c1-17-15(19)10-25(20,21)12-5-7-18(8-6-12)26(22,23)14-9-11(16)3-4-13(14)24-2/h3-4,9,12H,5-8,10H2,1-2H3,(H,17,19).
What are the key properties of 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide?
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide has a molecular weight of 424.93 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide is sourced from PubChem (CID 90592852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).