N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide

C18H18N2O5S — CID 130204627

IUPACN-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(NO)C1=CCN(S(=O)(=O)c2ccc(-c3ccc(O)cc3)cc2)CC1
InChIInChI=1S/C18H18N2O5S/c21-16-5-1-13(2-6-16)14-3-7-17(8-4-14)26(24,25)20-11-9-15(10-12-20)18(22)19-23/h1-9,21,23H,10-12H2,(H,19,22)
InChIKeyHNUJSXFRFZYZHO-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.89
Rot. Bonds4

About N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide

N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 130204627) has the molecular formula C18H18N2O5S and a molecular weight of 374.42 g/mol. Its IUPAC name is N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID130204627
Molecular FormulaC18H18N2O5S
Molecular Weight374.42 g/mol
Exact Mass374.09
IUPAC NameN-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESO=C(NO)C1=CCN(S(=O)(=O)c2ccc(-c3ccc(O)cc3)cc2)CC1
InChIInChI=1S/C18H18N2O5S/c21-16-5-1-13(2-6-16)14-3-7-17(8-4-14)26(24,25)20-11-9-15(10-12-20)18(22)19-23/h1-9,21,23H,10-12H2,(H,19,22)
InChIKeyHNUJSXFRFZYZHO-UHFFFAOYSA-N
XLogP1.89
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.89
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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Related Compounds

N-hydroxy-1-[4-[4-[2-(methylamino)ethylamino]phenyl]phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 167003334
N-hydroxy-1-[4-(1-piperidin-4-ylpyrazol-4-yl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 130204663
ethyl 1-[4-(4-bromophenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 130205049
N-(4-methylcyclohexyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 4232717
1-[4-[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]phenyl]sulfonyl-N-methyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 157051270
1-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20881517
N-(3-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 4232720
N-cyclopentyl-1-(4-methoxyphenyl)sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20881502
1-[1-[4-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]ethanone
CID 130205167
1-(4-bromophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 20881524
1-[4-[4-[4-(1-methoxy-2-methylpropan-2-yl)piperazin-1-yl]phenyl]phenyl]sulfonyl-N-nitroso-3,6-dihydro-2H-pyridine-4-carboxamide
CID 130205146
1-(2,3-dihydro-1-benzofuran-6-ylsulfonyl)-N-hydroxy-2,5-dihydropyrrole-3-carboxamide
CID 121461171

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide (CID 130204627) is N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide is O=C(NO)C1=CCN(S(=O)(=O)c2ccc(-c3ccc(O)cc3)cc2)CC1.
What is the InChIKey of N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is HNUJSXFRFZYZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5S/c21-16-5-1-13(2-6-16)14-3-7-17(8-4-14)26(24,25)20-11-9-15(10-12-20)18(22)19-23/h1-9,21,23H,10-12H2,(H,19,22).
What are the key properties of N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide?
N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-[4-(4-hydroxyphenyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 130204627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).