2-[[1-[4-(fluoromethyl)phenyl]sulfonyl-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide

C23H24FN5O4S — CID 121346279

IUPAC2-[[1-[4-(fluoromethyl)phenyl]sulfonyl-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccccc3)CCN(S(=O)(=O)c3ccc(CF)cc3)CC2)nc1
InChIInChI=1S/C23H24FN5O4S/c24-14-17-6-8-20(9-7-17)34(32,33)29-12-10-23(11-13-29,19-4-2-1-3-5-19)27-22-25-15-18(16-26-22)21(30)28-31/h1-9,15-16,31H,10-14H2,(H,28,30)(H,25,26,27)
InChIKeyXECRKMLHAZYPEE-UHFFFAOYSA-N
MW485.54 g/mol
LogP2.86
Rot. Bonds7

About 2-[[1-[4-(fluoromethyl)phenyl]sulfonyl-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide

2-[[1-[4-(fluoromethyl)phenyl]sulfonyl-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 121346279) has the molecular formula C23H24FN5O4S and a molecular weight of 485.54 g/mol. Its IUPAC name is 2-[[1-[4-(fluoromethyl)phenyl]sulfonyl-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[1-[4-(fluoromethyl)phenyl]sulfonyl-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID121346279
Molecular FormulaC23H24FN5O4S
Molecular Weight485.54 g/mol
Exact Mass485.15
IUPAC Name2-[[1-[4-(fluoromethyl)phenyl]sulfonyl-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccccc3)CCN(S(=O)(=O)c3ccc(CF)cc3)CC2)nc1
InChIInChI=1S/C23H24FN5O4S/c24-14-17-6-8-20(9-7-17)34(32,33)29-12-10-23(11-13-29,19-4-2-1-3-5-19)27-22-25-15-18(16-26-22)21(30)28-31/h1-9,15-16,31H,10-14H2,(H,28,30)(H,25,26,27)
InChIKeyXECRKMLHAZYPEE-UHFFFAOYSA-N
XLogP2.86
TPSA124.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 2-[[1-[4-(fluoromethyl)phenyl]sulfonyl-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[[1-[4-(fluoromethyl)phenyl]sulfonyl-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide (CID 121346279) is 2-[[1-[4-(fluoromethyl)phenyl]sulfonyl-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[1-[4-(fluoromethyl)phenyl]sulfonyl-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[[1-[4-(fluoromethyl)phenyl]sulfonyl-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(NC2(c3ccccc3)CCN(S(=O)(=O)c3ccc(CF)cc3)CC2)nc1.
What is the InChIKey of 2-[[1-[4-(fluoromethyl)phenyl]sulfonyl-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is XECRKMLHAZYPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O4S/c24-14-17-6-8-20(9-7-17)34(32,33)29-12-10-23(11-13-29,19-4-2-1-3-5-19)27-22-25-15-18(16-26-22)21(30)28-31/h1-9,15-16,31H,10-14H2,(H,28,30)(H,25,26,27).
What are the key properties of 2-[[1-[4-(fluoromethyl)phenyl]sulfonyl-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide?
2-[[1-[4-(fluoromethyl)phenyl]sulfonyl-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[4-(fluoromethyl)phenyl]sulfonyl-4-phenylpiperidin-4-yl]amino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 121346279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).