N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide

C20H23FN2O6S — CID 54135148

IUPACN-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(O)NS(=O)(=O)c1ccc(OCCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O6S/c21-17-3-1-15(2-4-17)9-14-29-18-5-7-19(8-6-18)30(26,27)22-23(25)20(24)16-10-12-28-13-11-16/h1-8,16,22,25H,9-14H2
InChIKeyNXDSOJHGXASIPW-UHFFFAOYSA-N
MW438.48 g/mol
LogP2.28
Rot. Bonds8

About N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide

N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide (PubChem CID 54135148) has the molecular formula C20H23FN2O6S and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide
PubChem CID54135148
Molecular FormulaC20H23FN2O6S
Molecular Weight438.48 g/mol
Exact Mass438.13
IUPAC NameN-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(O)NS(=O)(=O)c1ccc(OCCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H23FN2O6S/c21-17-3-1-15(2-4-17)9-14-29-18-5-7-19(8-6-18)30(26,27)22-23(25)20(24)16-10-12-28-13-11-16/h1-8,16,22,25H,9-14H2
InChIKeyNXDSOJHGXASIPW-UHFFFAOYSA-N
XLogP2.28
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-N-[(4-phenylmethoxyphenyl)sulfonylamino]oxane-4-carboxamide
CID 54208613
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N,6-dihydroxy-6-methyloxane-3-carboxamide
CID 54063565
N-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxyoxolane-3-carboxamide
CID 90810397
N-hydroxy-N-[[4-(2-pyridin-4-ylethoxy)phenyl]sulfonylamino]-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole-5-carboxamide
CID 90918824
N-[(2S)-2-[[(2R)-3-[4-[2-[2-(4-fluorophenyl)ethoxy]ethoxy]phenoxy]-2-hydroxypropyl]amino]propyl]oxane-4-carboxamide
CID 70388528
N-[2-(4-fluorophenyl)ethyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 9331335
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 55066017
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
N-hydroxy-N-[4-[4-(4,4,4-trifluorobutyl)phenyl]phenyl]sulfonyloxane-4-carboxamide
CID 90908864
3-[4-[3-(oxan-4-ylamino)-3-oxopropyl]phenoxy]propyl carbamate
CID 173014572
4-[2-(4-fluorophenyl)ethoxy]benzaldehyde
CID 87614238
N-cyclopropyl-N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]methyl]-5-methylthiophene-2-carboxamide
CID 42461386

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide?
The IUPAC name of N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide (CID 54135148) is N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide.
What is the SMILES notation for N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide?
The canonical SMILES for N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide is O=C(C1CCOCC1)N(O)NS(=O)(=O)c1ccc(OCCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide?
The InChIKey is NXDSOJHGXASIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O6S/c21-17-3-1-15(2-4-17)9-14-29-18-5-7-19(8-6-18)30(26,27)22-23(25)20(24)16-10-12-28-13-11-16/h1-8,16,22,25H,9-14H2.
What are the key properties of N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide?
N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 54135148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).