[5-[(2,6-dichlorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C19H20Cl2N2O3S — CID 11989744

IUPAC[5-[(2,6-dichlorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cncc(CS(=O)(=O)c3c(Cl)cccc3Cl)c2)CC1
InChIInChI=1S/C19H20Cl2N2O3S/c1-13-5-7-23(8-6-13)19(24)15-9-14(10-22-11-15)12-27(25,26)18-16(20)3-2-4-17(18)21/h2-4,9-11,13H,5-8,12H2,1H3
InChIKeyYCPLVBXZQTYYIK-UHFFFAOYSA-N
MW427.35 g/mol
LogP4.23
Rot. Bonds4

About [5-[(2,6-dichlorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[5-[(2,6-dichlorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 11989744) has the molecular formula C19H20Cl2N2O3S and a molecular weight of 427.35 g/mol. Its IUPAC name is [5-[(2,6-dichlorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2,6-dichlorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID11989744
Molecular FormulaC19H20Cl2N2O3S
Molecular Weight427.35 g/mol
Exact Mass426.06
IUPAC Name[5-[(2,6-dichlorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cncc(CS(=O)(=O)c3c(Cl)cccc3Cl)c2)CC1
InChIInChI=1S/C19H20Cl2N2O3S/c1-13-5-7-23(8-6-13)19(24)15-9-14(10-22-11-15)12-27(25,26)18-16(20)3-2-4-17(18)21/h2-4,9-11,13H,5-8,12H2,1H3
InChIKeyYCPLVBXZQTYYIK-UHFFFAOYSA-N
XLogP4.23
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.35
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pyridine amide, 16
CID 44236984
Pyridine amide, 17
CID 44236985
Pyridine amide, 21
CID 44236989
Pyridine amide, 22
CID 44236990
Pyridine amide, 23
CID 44236991
Pyridine amide, 24
CID 44236992
Pyridine amide, 18
CID 44236986
Pyridine amide, 19
CID 44236987
Pyridine amide, 20
CID 44236988
Pyridine amide, 25
CID 44236993
1-[(4-Chlorophenyl)sulfonyl]-4-(3-pyridinylcarbonyl)piperazine
CID 1147866
[4-(3-Chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 8115720

Frequently Asked Questions

What is the IUPAC name of [5-[(2,6-dichlorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-[(2,6-dichlorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 11989744) is [5-[(2,6-dichlorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[(2,6-dichlorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[(2,6-dichlorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cncc(CS(=O)(=O)c3c(Cl)cccc3Cl)c2)CC1.
What is the InChIKey of [5-[(2,6-dichlorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is YCPLVBXZQTYYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3S/c1-13-5-7-23(8-6-13)19(24)15-9-14(10-22-11-15)12-27(25,26)18-16(20)3-2-4-17(18)21/h2-4,9-11,13H,5-8,12H2,1H3.
What are the key properties of [5-[(2,6-dichlorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[5-[(2,6-dichlorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 427.35 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,6-dichlorophenyl)sulfonylmethyl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 11989744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).