[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone

C24H21Cl2FN2O3S — CID 58210912

IUPAC[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(CS(=O)(=O)c2c(Cl)cccc2Cl)n1)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H21Cl2FN2O3S/c25-20-4-2-5-21(26)23(20)33(31,32)15-19-3-1-6-22(28-19)24(30)29-13-11-17(12-14-29)16-7-9-18(27)10-8-16/h1-10,17H,11-15H2
InChIKeyQDVCUYXSNNDTEA-UHFFFAOYSA-N
MW507.41 g/mol
LogP5.52
Rot. Bonds5

About [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone

[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone (PubChem CID 58210912) has the molecular formula C24H21Cl2FN2O3S and a molecular weight of 507.41 g/mol. Its IUPAC name is [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
PubChem CID58210912
Molecular FormulaC24H21Cl2FN2O3S
Molecular Weight507.41 g/mol
Exact Mass506.06
IUPAC Name[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(CS(=O)(=O)c2c(Cl)cccc2Cl)n1)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H21Cl2FN2O3S/c25-20-4-2-5-21(26)23(20)33(31,32)15-19-3-1-6-22(28-19)24(30)29-13-11-17(12-14-29)16-7-9-18(27)10-8-16/h1-10,17H,11-15H2
InChIKeyQDVCUYXSNNDTEA-UHFFFAOYSA-N
XLogP5.52
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.41
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The IUPAC name of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone (CID 58210912) is [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone is O=C(c1cccc(CS(=O)(=O)c2c(Cl)cccc2Cl)n1)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
The InChIKey is QDVCUYXSNNDTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2FN2O3S/c25-20-4-2-5-21(26)23(20)33(31,32)15-19-3-1-6-22(28-19)24(30)29-13-11-17(12-14-29)16-7-9-18(27)10-8-16/h1-10,17H,11-15H2.
What are the key properties of [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone?
[6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone has a molecular weight of 507.41 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2,6-dichlorophenyl)sulfonylmethyl]-2-pyridinyl]-[4-(4-fluorophenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 58210912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).