3-[4-(2-chloro-4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-2-piperidin-4-ylpropanamide

C19H27ClFN3O4S — CID 87873092

IUPAC3-[4-(2-chloro-4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-2-piperidin-4-ylpropanamide
SMILESO=C(NO)C(CS(=O)(=O)N1CCC(c2ccc(F)cc2Cl)CC1)C1CCNCC1
InChIInChI=1S/C19H27ClFN3O4S/c20-18-11-15(21)1-2-16(18)14-5-9-24(10-6-14)29(27,28)12-17(19(25)23-26)13-3-7-22-8-4-13/h1-2,11,13-14,17,22,26H,3-10,12H2,(H,23,25)
InChIKeyYCMAFPZZJSNLOF-UHFFFAOYSA-N
MW447.96 g/mol
LogP2.11
Rot. Bonds6

About 3-[4-(2-chloro-4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-2-piperidin-4-ylpropanamide

3-[4-(2-chloro-4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-2-piperidin-4-ylpropanamide (PubChem CID 87873092) has the molecular formula C19H27ClFN3O4S and a molecular weight of 447.96 g/mol. Its IUPAC name is 3-[4-(2-chloro-4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-2-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name3-[4-(2-chloro-4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-2-piperidin-4-ylpropanamide
PubChem CID87873092
Molecular FormulaC19H27ClFN3O4S
Molecular Weight447.96 g/mol
Exact Mass447.14
IUPAC Name3-[4-(2-chloro-4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-2-piperidin-4-ylpropanamide
SMILESO=C(NO)C(CS(=O)(=O)N1CCC(c2ccc(F)cc2Cl)CC1)C1CCNCC1
InChIInChI=1S/C19H27ClFN3O4S/c20-18-11-15(21)1-2-16(18)14-5-9-24(10-6-14)29(27,28)12-17(19(25)23-26)13-3-7-22-8-4-13/h1-2,11,13-14,17,22,26H,3-10,12H2,(H,23,25)
InChIKeyYCMAFPZZJSNLOF-UHFFFAOYSA-N
XLogP2.11
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.96
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chloro-4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-2-piperidin-4-ylpropanamide?
The IUPAC name of 3-[4-(2-chloro-4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-2-piperidin-4-ylpropanamide (CID 87873092) is 3-[4-(2-chloro-4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-2-piperidin-4-ylpropanamide.
What is the SMILES notation for 3-[4-(2-chloro-4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-2-piperidin-4-ylpropanamide?
The canonical SMILES for 3-[4-(2-chloro-4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-2-piperidin-4-ylpropanamide is O=C(NO)C(CS(=O)(=O)N1CCC(c2ccc(F)cc2Cl)CC1)C1CCNCC1.
What is the InChIKey of 3-[4-(2-chloro-4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-2-piperidin-4-ylpropanamide?
The InChIKey is YCMAFPZZJSNLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClFN3O4S/c20-18-11-15(21)1-2-16(18)14-5-9-24(10-6-14)29(27,28)12-17(19(25)23-26)13-3-7-22-8-4-13/h1-2,11,13-14,17,22,26H,3-10,12H2,(H,23,25).
What are the key properties of 3-[4-(2-chloro-4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-2-piperidin-4-ylpropanamide?
3-[4-(2-chloro-4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-2-piperidin-4-ylpropanamide has a molecular weight of 447.96 g/mol, XLogP of 2.11, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chloro-4-fluorophenyl)piperidin-1-yl]sulfonyl-N-hydroxy-2-piperidin-4-ylpropanamide is sourced from PubChem (CID 87873092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).