2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide

C16H21Cl2N3O6S2 — CID 90592587

IUPAC2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H21Cl2N3O6S2/c1-19-14(22)10-28(24,25)11-5-7-21(8-6-11)15(23)9-20-29(26,27)16-12(17)3-2-4-13(16)18/h2-4,11,20H,5-10H2,1H3,(H,19,22)
InChIKeyXPUFXOBUZPOSKS-UHFFFAOYSA-N
MW486.40 g/mol
LogP0.42
Rot. Bonds7

About 2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide

2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide (PubChem CID 90592587) has the molecular formula C16H21Cl2N3O6S2 and a molecular weight of 486.40 g/mol. Its IUPAC name is 2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
PubChem CID90592587
Molecular FormulaC16H21Cl2N3O6S2
Molecular Weight486.40 g/mol
Exact Mass485.02
IUPAC Name2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H21Cl2N3O6S2/c1-19-14(22)10-28(24,25)11-5-7-21(8-6-11)15(23)9-20-29(26,27)16-12(17)3-2-4-13(16)18/h2-4,11,20H,5-10H2,1H3,(H,19,22)
InChIKeyXPUFXOBUZPOSKS-UHFFFAOYSA-N
XLogP0.42
TPSA129.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.40
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592588
N-methyl-2-[1-[2-[(3-methylphenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonylacetamide
CID 90592591
2-[1-[3-(3-chlorophenyl)propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 72718859
N-methyl-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]sulfonylacetamide
CID 90592518
2,6-difluoro-N-[2-(4-methylsulfonylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 90586387
2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592768
N-methyl-2-[1-[2-(4-propan-2-ylphenoxy)acetyl]piperidin-4-yl]sulfonylacetamide
CID 90592560
2-[1-[3-(4-chloro-3-fluorophenyl)propanoyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 71809132
2-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592548
1-[2-[(2,3-dichlorophenyl)sulfonylamino]acetyl]piperidine-4-carboxylic acid
CID 139889249
N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide
CID 90592749
2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592550

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide?
The IUPAC name of 2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide (CID 90592587) is 2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide.
What is the SMILES notation for 2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide?
The canonical SMILES for 2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide is CNC(=O)CS(=O)(=O)C1CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide?
The InChIKey is XPUFXOBUZPOSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3O6S2/c1-19-14(22)10-28(24,25)11-5-7-21(8-6-11)15(23)9-20-29(26,27)16-12(17)3-2-4-13(16)18/h2-4,11,20H,5-10H2,1H3,(H,19,22).
What are the key properties of 2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide?
2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide has a molecular weight of 486.40 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(2,6-dichlorophenyl)sulfonylamino]acetyl]piperidin-4-yl]sulfonyl-N-methylacetamide is sourced from PubChem (CID 90592587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).