4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1-oxo-1,4-thiazinane-3-carboxamide

C19H21FN2O6S2 — CID 57157250

IUPAC4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1-oxo-1,4-thiazinane-3-carboxamide
SMILESCC1C(C(=O)NO)N(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)CCS1=O
InChIInChI=1S/C19H21FN2O6S2/c1-13-18(19(23)21-24)22(10-11-29(13)25)30(26,27)17-8-6-16(7-9-17)28-12-14-2-4-15(20)5-3-14/h2-9,13,18,24H,10-12H2,1H3,(H,21,23)
InChIKeyMKOWVPWESNQSNX-UHFFFAOYSA-N
MW456.52 g/mol
LogP1.42
Rot. Bonds6

About 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1-oxo-1,4-thiazinane-3-carboxamide

4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1-oxo-1,4-thiazinane-3-carboxamide (PubChem CID 57157250) has the molecular formula C19H21FN2O6S2 and a molecular weight of 456.52 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1-oxo-1,4-thiazinane-3-carboxamide.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1-oxo-1,4-thiazinane-3-carboxamide
PubChem CID57157250
Molecular FormulaC19H21FN2O6S2
Molecular Weight456.52 g/mol
Exact Mass456.08
IUPAC Name4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1-oxo-1,4-thiazinane-3-carboxamide
SMILESCC1C(C(=O)NO)N(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)CCS1=O
InChIInChI=1S/C19H21FN2O6S2/c1-13-18(19(23)21-24)22(10-11-29(13)25)30(26,27)17-8-6-16(7-9-17)28-12-14-2-4-15(20)5-3-14/h2-9,13,18,24H,10-12H2,1H3,(H,21,23)
InChIKeyMKOWVPWESNQSNX-UHFFFAOYSA-N
XLogP1.42
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 51.42
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

4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2,6,6-trimethylmorpholine-3-carboxamide
CID 85065581
(2S,3S)-4-[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methylthiomorpholine-3-carboxamide
CID 57038179
(3S)-4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methylidenethiomorpholine-3-carboxamide
CID 163690108
4-[4-[(3-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1,1-dioxo-1,4-thiazinane-3-carboxamide
CID 87966014
[(2R,4R)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-4-hydroxypiperidin-2-yl] N-hydroxycarbamate
CID 87888440
(2R,4S)-4-(butylaminomethyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N,4-dihydroxypiperidine-2-carboxamide
CID 57027278
N,5-dihydroxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxamide
CID 20712390
methyl (2S,3S)-4-[4-[(3,5-difluorophenyl)methoxy]phenyl]sulfonyl-2-methylthiomorpholine-3-carboxylate
CID 57193232
4-acetyl-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxypiperazine-2-carboxamide
CID 22592870
1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide
CID 20712345
(3R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100666011
(2R,4S)-1-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxy-4-pyrrolidin-1-ylpyrrolidine-2-carboxamide
CID 10789671

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1-oxo-1,4-thiazinane-3-carboxamide?
The IUPAC name of 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1-oxo-1,4-thiazinane-3-carboxamide (CID 57157250) is 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1-oxo-1,4-thiazinane-3-carboxamide.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1-oxo-1,4-thiazinane-3-carboxamide?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1-oxo-1,4-thiazinane-3-carboxamide is CC1C(C(=O)NO)N(S(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)CCS1=O.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1-oxo-1,4-thiazinane-3-carboxamide?
The InChIKey is MKOWVPWESNQSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O6S2/c1-13-18(19(23)21-24)22(10-11-29(13)25)30(26,27)17-8-6-16(7-9-17)28-12-14-2-4-15(20)5-3-14/h2-9,13,18,24H,10-12H2,1H3,(H,21,23).
What are the key properties of 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1-oxo-1,4-thiazinane-3-carboxamide?
4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1-oxo-1,4-thiazinane-3-carboxamide has a molecular weight of 456.52 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1-oxo-1,4-thiazinane-3-carboxamide is sourced from PubChem (CID 57157250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).