4-fluoro-2-methyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide

C14H19FN2O4S — CID 110726023

IUPAC4-fluoro-2-methyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC1CN(C(C)C)C(=O)O1
InChIInChI=1S/C14H19FN2O4S/c1-9(2)17-8-12(21-14(17)18)7-16-22(19,20)13-5-4-11(15)6-10(13)3/h4-6,9,12,16H,7-8H2,1-3H3
InChIKeyNKVYXXPLVUTLOQ-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.64
Rot. Bonds5

About 4-fluoro-2-methyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide

4-fluoro-2-methyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide (PubChem CID 110726023) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
PubChem CID110726023
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name4-fluoro-2-methyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC1CN(C(C)C)C(=O)O1
InChIInChI=1S/C14H19FN2O4S/c1-9(2)17-8-12(21-14(17)18)7-16-22(19,20)13-5-4-11(15)6-10(13)3/h4-6,9,12,16H,7-8H2,1-3H3
InChIKeyNKVYXXPLVUTLOQ-UHFFFAOYSA-N
XLogP1.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-2-methyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide with MolForge

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Related Compounds

4-fluoro-2-methyl-N-[2-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)ethyl]benzenesulfonamide
CID 110716981
4-fluoro-2-methyl-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]benzenesulfonamide
CID 110710175
N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]ethanesulfonamide
CID 110726007
4-fluoro-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102913112
N-(2-bromopropyl)-4-fluoro-2-methylbenzenesulfonamide
CID 114295737
N-[(4-chlorocyclohexyl)methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 106136234
N-[[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 51027081
N-[[2-(bromomethyl)cyclohexyl]methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 114295478
N-(2-bromo-4-methylpentyl)-4-fluoro-2-methylbenzenesulfonamide
CID 107158198
4-fluoro-2-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 110413676
4-[(4-fluoro-2-methylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 81066027
4-fluoro-N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzenesulfonamide
CID 104593925

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide (CID 110726023) is 4-fluoro-2-methyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCC1CN(C(C)C)C(=O)O1.
What is the InChIKey of 4-fluoro-2-methyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide?
The InChIKey is NKVYXXPLVUTLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-9(2)17-8-12(21-14(17)18)7-16-22(19,20)13-5-4-11(15)6-10(13)3/h4-6,9,12,16H,7-8H2,1-3H3.
What are the key properties of 4-fluoro-2-methyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide has a molecular weight of 330.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110726023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).