N-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride

C23H31ClN2O6S — CID 162309468

IUPACN-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
SMILESCCCc1ccc(CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cn1.Cl
InChIInChI=1S/C23H30N2O6S.ClH/c1-2-4-19-7-6-18(17-24-19)5-3-14-31-20-8-10-21(11-9-20)32(28,29)23(22(26)25-27)12-15-30-16-13-23;/h6-11,17,27H,2-5,12-16H2,1H3,(H,25,26);1H
InChIKeyHGNQOHKQLCKXFW-UHFFFAOYSA-N
MW499.03 g/mol
LogP3.30
Rot. Bonds10

About N-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride

N-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride (PubChem CID 162309468) has the molecular formula C23H31ClN2O6S and a molecular weight of 499.03 g/mol. Its IUPAC name is N-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
PubChem CID162309468
Molecular FormulaC23H31ClN2O6S
Molecular Weight499.03 g/mol
Exact Mass498.16
IUPAC NameN-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
SMILESCCCc1ccc(CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cn1.Cl
InChIInChI=1S/C23H30N2O6S.ClH/c1-2-4-19-7-6-18(17-24-19)5-3-14-31-20-8-10-21(11-9-20)32(28,29)23(22(26)25-27)12-15-30-16-13-23;/h6-11,17,27H,2-5,12-16H2,1H3,(H,25,26);1H
InChIKeyHGNQOHKQLCKXFW-UHFFFAOYSA-N
XLogP3.30
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.03
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620571
4-[4-[2-[4-(aminomethyl)phenoxy]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10253230
N-hydroxy-4-[4-[4-(4-methoxyphenyl)butyl]phenyl]sulfonyloxane-4-carboxamide
CID 20620689
N-hydroxy-4-[4-[3-(pyridin-3-ylmethoxy)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162305150
N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620677
4-[4-[3-[3-(3,5-dimethylphenyl)phenyl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620448
N-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide
CID 58623187
N-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620438
4-[4-[3-(4-fluoro-3-phenylphenyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620563
N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide
CID 10184126
N-hydroxy-4-[4-[3-[[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]amino]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620304
4-[4-[3-[5-(2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620590

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride?
The IUPAC name of N-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride (CID 162309468) is N-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride is CCCc1ccc(CCCOc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cn1.Cl.
What is the InChIKey of N-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride?
The InChIKey is HGNQOHKQLCKXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6S.ClH/c1-2-4-19-7-6-18(17-24-19)5-3-14-31-20-8-10-21(11-9-20)32(28,29)23(22(26)25-27)12-15-30-16-13-23;/h6-11,17,27H,2-5,12-16H2,1H3,(H,25,26);1H.
What are the key properties of N-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride?
N-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride has a molecular weight of 499.03 g/mol, XLogP of 3.30, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 162309468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).