1-[1-[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)piperidin-2-yl]cyclopropyl]ethanone

C22H22ClF2NO3S — CID 58584448

IUPAC1-[1-[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)piperidin-2-yl]cyclopropyl]ethanone
SMILESCC(=O)C1([C@@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H22ClF2NO3S/c1-14(27)22(9-10-22)21-4-2-3-20(15-11-17(24)13-18(25)12-15)26(21)30(28,29)19-7-5-16(23)6-8-19/h5-8,11-13,20-21H,2-4,9-10H2,1H3/t20-,21+/m1/s1
InChIKeyCLWYYRLPYRNQMN-RTWAWAEBSA-N
MW453.94 g/mol
LogP5.27
Rot. Bonds5

About 1-[1-[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)piperidin-2-yl]cyclopropyl]ethanone

1-[1-[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)piperidin-2-yl]cyclopropyl]ethanone (PubChem CID 58584448) has the molecular formula C22H22ClF2NO3S and a molecular weight of 453.94 g/mol. Its IUPAC name is 1-[1-[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)piperidin-2-yl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-[1-[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)piperidin-2-yl]cyclopropyl]ethanone
PubChem CID58584448
Molecular FormulaC22H22ClF2NO3S
Molecular Weight453.94 g/mol
Exact Mass453.10
IUPAC Name1-[1-[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)piperidin-2-yl]cyclopropyl]ethanone
SMILESCC(=O)C1([C@@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H22ClF2NO3S/c1-14(27)22(9-10-22)21-4-2-3-20(15-11-17(24)13-18(25)12-15)26(21)30(28,29)19-7-5-16(23)6-8-19/h5-8,11-13,20-21H,2-4,9-10H2,1H3/t20-,21+/m1/s1
InChIKeyCLWYYRLPYRNQMN-RTWAWAEBSA-N
XLogP5.27
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.94
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)piperidin-2-yl]cyclopropyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)piperidin-2-yl]cyclopropyl]ethanone?
The IUPAC name of 1-[1-[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)piperidin-2-yl]cyclopropyl]ethanone (CID 58584448) is 1-[1-[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)piperidin-2-yl]cyclopropyl]ethanone.
What is the SMILES notation for 1-[1-[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)piperidin-2-yl]cyclopropyl]ethanone?
The canonical SMILES for 1-[1-[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)piperidin-2-yl]cyclopropyl]ethanone is CC(=O)C1([C@@H]2CCC[C@H](c3cc(F)cc(F)c3)N2S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)piperidin-2-yl]cyclopropyl]ethanone?
The InChIKey is CLWYYRLPYRNQMN-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H22ClF2NO3S/c1-14(27)22(9-10-22)21-4-2-3-20(15-11-17(24)13-18(25)12-15)26(21)30(28,29)19-7-5-16(23)6-8-19/h5-8,11-13,20-21H,2-4,9-10H2,1H3/t20-,21+/m1/s1.
What are the key properties of 1-[1-[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)piperidin-2-yl]cyclopropyl]ethanone?
1-[1-[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)piperidin-2-yl]cyclopropyl]ethanone has a molecular weight of 453.94 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2S,6R)-1-(4-chlorophenyl)sulfonyl-6-(3,5-difluorophenyl)piperidin-2-yl]cyclopropyl]ethanone is sourced from PubChem (CID 58584448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).