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

C19H21FN2O7S2 — CID 87966014

IUPAC4-[4-[(3-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1,1-dioxo-1,4-thiazinane-3-carboxamide
SMILESCC1C(C(=O)NO)N(S(=O)(=O)c2ccc(OCc3cccc(F)c3)cc2)CCS1(=O)=O
InChIInChI=1S/C19H21FN2O7S2/c1-13-18(19(23)21-24)22(9-10-30(13,25)26)31(27,28)17-7-5-16(6-8-17)29-12-14-3-2-4-15(20)11-14/h2-8,11,13,18,24H,9-10,12H2,1H3,(H,21,23)
InChIKeyRSEVUVBHIBVFEG-UHFFFAOYSA-N
MW472.52 g/mol
LogP1.09
Rot. Bonds6

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

4-[4-[(3-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1,1-dioxo-1,4-thiazinane-3-carboxamide (PubChem CID 87966014) has the molecular formula C19H21FN2O7S2 and a molecular weight of 472.52 g/mol. Its IUPAC name is 4-[4-[(3-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1,1-dioxo-1,4-thiazinane-3-carboxamide.

Molecular Properties

Compound Name4-[4-[(3-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1,1-dioxo-1,4-thiazinane-3-carboxamide
PubChem CID87966014
Molecular FormulaC19H21FN2O7S2
Molecular Weight472.52 g/mol
Exact Mass472.08
IUPAC Name4-[4-[(3-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1,1-dioxo-1,4-thiazinane-3-carboxamide
SMILESCC1C(C(=O)NO)N(S(=O)(=O)c2ccc(OCc3cccc(F)c3)cc2)CCS1(=O)=O
InChIInChI=1S/C19H21FN2O7S2/c1-13-18(19(23)21-24)22(9-10-30(13,25)26)31(27,28)17-7-5-16(6-8-17)29-12-14-3-2-4-15(20)11-14/h2-8,11,13,18,24H,9-10,12H2,1H3,(H,21,23)
InChIKeyRSEVUVBHIBVFEG-UHFFFAOYSA-N
XLogP1.09
TPSA130.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[4-[(3-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1,1-dioxo-1,4-thiazinane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1,1-dioxo-1,4-thiazinane-3-carboxamide?
The IUPAC name of 4-[4-[(3-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1,1-dioxo-1,4-thiazinane-3-carboxamide (CID 87966014) is 4-[4-[(3-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1,1-dioxo-1,4-thiazinane-3-carboxamide.
What is the SMILES notation for 4-[4-[(3-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1,1-dioxo-1,4-thiazinane-3-carboxamide?
The canonical SMILES for 4-[4-[(3-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1,1-dioxo-1,4-thiazinane-3-carboxamide is CC1C(C(=O)NO)N(S(=O)(=O)c2ccc(OCc3cccc(F)c3)cc2)CCS1(=O)=O.
What is the InChIKey of 4-[4-[(3-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1,1-dioxo-1,4-thiazinane-3-carboxamide?
The InChIKey is RSEVUVBHIBVFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O7S2/c1-13-18(19(23)21-24)22(9-10-30(13,25)26)31(27,28)17-7-5-16(6-8-17)29-12-14-3-2-4-15(20)11-14/h2-8,11,13,18,24H,9-10,12H2,1H3,(H,21,23).
What are the key properties of 4-[4-[(3-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1,1-dioxo-1,4-thiazinane-3-carboxamide?
4-[4-[(3-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1,1-dioxo-1,4-thiazinane-3-carboxamide has a molecular weight of 472.52 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(3-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2-methyl-1,1-dioxo-1,4-thiazinane-3-carboxamide is sourced from PubChem (CID 87966014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).