N-hydroxy-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1,3-dihydroindene-2-carboxamide

C24H26F5N3O4S — CID 10437470

IUPACN-hydroxy-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1,3-dihydroindene-2-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)cn3)CC2)Cc2ccccc2C1
InChIInChI=1S/C24H26F5N3O4S/c25-23(26,24(27,28)29)10-7-16-5-6-20(30-15-16)17-8-11-32(12-9-17)37(35,36)22(21(33)31-34)13-18-3-1-2-4-19(18)14-22/h1-6,15,17,34H,7-14H2,(H,31,33)
InChIKeyQKDUHTIKCNREJO-UHFFFAOYSA-N
MW547.55 g/mol
LogP3.76
Rot. Bonds7

About N-hydroxy-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1,3-dihydroindene-2-carboxamide

N-hydroxy-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1,3-dihydroindene-2-carboxamide (PubChem CID 10437470) has the molecular formula C24H26F5N3O4S and a molecular weight of 547.55 g/mol. Its IUPAC name is N-hydroxy-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1,3-dihydroindene-2-carboxamide
PubChem CID10437470
Molecular FormulaC24H26F5N3O4S
Molecular Weight547.55 g/mol
Exact Mass547.16
IUPAC NameN-hydroxy-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1,3-dihydroindene-2-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)cn3)CC2)Cc2ccccc2C1
InChIInChI=1S/C24H26F5N3O4S/c25-23(26,24(27,28)29)10-7-16-5-6-20(30-15-16)17-8-11-32(12-9-17)37(35,36)22(21(33)31-34)13-18-3-1-2-4-19(18)14-22/h1-6,15,17,34H,7-14H2,(H,31,33)
InChIKeyQKDUHTIKCNREJO-UHFFFAOYSA-N
XLogP3.76
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.55
LogP ≤ 53.76
H-Bond Donors ≤ 52
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1,3-dihydroindene-2-carboxamide?
The IUPAC name of N-hydroxy-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1,3-dihydroindene-2-carboxamide (CID 10437470) is N-hydroxy-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for N-hydroxy-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for N-hydroxy-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1,3-dihydroindene-2-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)cn3)CC2)Cc2ccccc2C1.
What is the InChIKey of N-hydroxy-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1,3-dihydroindene-2-carboxamide?
The InChIKey is QKDUHTIKCNREJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F5N3O4S/c25-23(26,24(27,28)29)10-7-16-5-6-20(30-15-16)17-8-11-32(12-9-17)37(35,36)22(21(33)31-34)13-18-3-1-2-4-19(18)14-22/h1-6,15,17,34H,7-14H2,(H,31,33).
What are the key properties of N-hydroxy-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1,3-dihydroindene-2-carboxamide?
N-hydroxy-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1,3-dihydroindene-2-carboxamide has a molecular weight of 547.55 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 10437470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).