N-hydroxy-4-[4-[4-(4-pentylphenyl)triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide

C25H31N5O4S — CID 71547350

IUPACN-hydroxy-4-[4-[4-(4-pentylphenyl)triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide
SMILESCCCCCc1ccc(-c2cn(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCNCC4)cc3)nn2)cc1
InChIInChI=1S/C25H31N5O4S/c1-2-3-4-5-19-6-8-20(9-7-19)23-18-30(29-27-23)21-10-12-22(13-11-21)35(33,34)25(24(31)28-32)14-16-26-17-15-25/h6-13,18,26,32H,2-5,14-17H2,1H3,(H,28,31)
InChIKeyCGJSNCTVBFVXRC-UHFFFAOYSA-N
MW497.62 g/mol
LogP3.07
Rot. Bonds9

About N-hydroxy-4-[4-[4-(4-pentylphenyl)triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide

N-hydroxy-4-[4-[4-(4-pentylphenyl)triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 71547350) has the molecular formula C25H31N5O4S and a molecular weight of 497.62 g/mol. Its IUPAC name is N-hydroxy-4-[4-[4-(4-pentylphenyl)triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[4-(4-pentylphenyl)triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID71547350
Molecular FormulaC25H31N5O4S
Molecular Weight497.62 g/mol
Exact Mass497.21
IUPAC NameN-hydroxy-4-[4-[4-(4-pentylphenyl)triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide
SMILESCCCCCc1ccc(-c2cn(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCNCC4)cc3)nn2)cc1
InChIInChI=1S/C25H31N5O4S/c1-2-3-4-5-19-6-8-20(9-7-19)23-18-30(29-27-23)21-10-12-22(13-11-21)35(33,34)25(24(31)28-32)14-16-26-17-15-25/h6-13,18,26,32H,2-5,14-17H2,1H3,(H,28,31)
InChIKeyCGJSNCTVBFVXRC-UHFFFAOYSA-N
XLogP3.07
TPSA126.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-hydroxy-4-[4-[4-(4-pentylphenyl)triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[4-(4-pentylphenyl)triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide (CID 71547350) is N-hydroxy-4-[4-[4-(4-pentylphenyl)triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[4-(4-pentylphenyl)triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[4-(4-pentylphenyl)triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide is CCCCCc1ccc(-c2cn(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCNCC4)cc3)nn2)cc1.
What is the InChIKey of N-hydroxy-4-[4-[4-(4-pentylphenyl)triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is CGJSNCTVBFVXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4S/c1-2-3-4-5-19-6-8-20(9-7-19)23-18-30(29-27-23)21-10-12-22(13-11-21)35(33,34)25(24(31)28-32)14-16-26-17-15-25/h6-13,18,26,32H,2-5,14-17H2,1H3,(H,28,31).
What are the key properties of N-hydroxy-4-[4-[4-(4-pentylphenyl)triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide?
N-hydroxy-4-[4-[4-(4-pentylphenyl)triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 497.62 g/mol, XLogP of 3.07, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[4-(4-pentylphenyl)triazol-1-yl]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 71547350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).