2-(2-chloro-6-fluorophenyl)-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide

C17H22ClFN2O3S — CID 71806863

IUPAC2-(2-chloro-6-fluorophenyl)-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C17H22ClFN2O3S/c18-15-2-1-3-16(19)14(15)10-17(22)20-11-12-6-8-21(9-7-12)25(23,24)13-4-5-13/h1-3,12-13H,4-11H2,(H,20,22)
InChIKeyRXQRTGZMHFQRTK-UHFFFAOYSA-N
MW388.89 g/mol
LogP2.34
Rot. Bonds6

About 2-(2-chloro-6-fluorophenyl)-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide (PubChem CID 71806863) has the molecular formula C17H22ClFN2O3S and a molecular weight of 388.89 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide
PubChem CID71806863
Molecular FormulaC17H22ClFN2O3S
Molecular Weight388.89 g/mol
Exact Mass388.10
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NCC1CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C17H22ClFN2O3S/c18-15-2-1-3-16(19)14(15)10-17(22)20-11-12-6-8-21(9-7-12)25(23,24)13-4-5-13/h1-3,12-13H,4-11H2,(H,20,22)
InChIKeyRXQRTGZMHFQRTK-UHFFFAOYSA-N
XLogP2.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.89
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide (CID 71806863) is 2-(2-chloro-6-fluorophenyl)-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide is O=C(Cc1c(F)cccc1Cl)NCC1CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide?
The InChIKey is RXQRTGZMHFQRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O3S/c18-15-2-1-3-16(19)14(15)10-17(22)20-11-12-6-8-21(9-7-12)25(23,24)13-4-5-13/h1-3,12-13H,4-11H2,(H,20,22).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide?
2-(2-chloro-6-fluorophenyl)-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide has a molecular weight of 388.89 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[(1-cyclopropylsulfonylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 71806863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).