N-[(2-fluorophenyl)methyl]-2-methyl-3-(3-methylthiophen-2-yl)-1,2-oxazolidine-4-sulfonamide

C16H19FN2O3S2 — CID 42869523

IUPACN-[(2-fluorophenyl)methyl]-2-methyl-3-(3-methylthiophen-2-yl)-1,2-oxazolidine-4-sulfonamide
SMILESCc1ccsc1C1C(S(=O)(=O)NCc2ccccc2F)CON1C
InChIInChI=1S/C16H19FN2O3S2/c1-11-7-8-23-16(11)15-14(10-22-19(15)2)24(20,21)18-9-12-5-3-4-6-13(12)17/h3-8,14-15,18H,9-10H2,1-2H3
InChIKeyMAOQHLGJYCJJDU-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.60
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-2-methyl-3-(3-methylthiophen-2-yl)-1,2-oxazolidine-4-sulfonamide

N-[(2-fluorophenyl)methyl]-2-methyl-3-(3-methylthiophen-2-yl)-1,2-oxazolidine-4-sulfonamide (PubChem CID 42869523) has the molecular formula C16H19FN2O3S2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-methyl-3-(3-methylthiophen-2-yl)-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-methyl-3-(3-methylthiophen-2-yl)-1,2-oxazolidine-4-sulfonamide
PubChem CID42869523
Molecular FormulaC16H19FN2O3S2
Molecular Weight370.47 g/mol
Exact Mass370.08
IUPAC NameN-[(2-fluorophenyl)methyl]-2-methyl-3-(3-methylthiophen-2-yl)-1,2-oxazolidine-4-sulfonamide
SMILESCc1ccsc1C1C(S(=O)(=O)NCc2ccccc2F)CON1C
InChIInChI=1S/C16H19FN2O3S2/c1-11-7-8-23-16(11)15-14(10-22-19(15)2)24(20,21)18-9-12-5-3-4-6-13(12)17/h3-8,14-15,18H,9-10H2,1-2H3
InChIKeyMAOQHLGJYCJJDU-UHFFFAOYSA-N
XLogP2.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-N-[(2-fluorophenyl)methyl]-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide
CID 93000509
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,5-difluorophenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
CID 42869602
(3S,4S)-4-(benzenesulfonyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 1486299
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 39620815
N-butan-2-yl-3-(2,5-difluorophenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
CID 83280968
(3S,4S)-N-(2-methoxyethyl)-2-methyl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 93000621
N-[(2-fluorophenyl)methyl]-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetamide
CID 8804591
1-ethyl-N-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 71688206
N-[(2-fluorophenyl)methyl]-1-phenylmethanesulfonamide
CID 7034179
N-[(2-fluorophenyl)methyl]-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanamide
CID 110685347
5-[(2-fluorophenyl)methylsulfamoyl]-2-methylbenzamide
CID 34033824
1-[(2-fluorophenyl)methylsulfamoyl]piperidine-4-carboxylic acid
CID 60858075

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-methyl-3-(3-methylthiophen-2-yl)-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-methyl-3-(3-methylthiophen-2-yl)-1,2-oxazolidine-4-sulfonamide (CID 42869523) is N-[(2-fluorophenyl)methyl]-2-methyl-3-(3-methylthiophen-2-yl)-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-methyl-3-(3-methylthiophen-2-yl)-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-methyl-3-(3-methylthiophen-2-yl)-1,2-oxazolidine-4-sulfonamide is Cc1ccsc1C1C(S(=O)(=O)NCc2ccccc2F)CON1C.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-methyl-3-(3-methylthiophen-2-yl)-1,2-oxazolidine-4-sulfonamide?
The InChIKey is MAOQHLGJYCJJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3S2/c1-11-7-8-23-16(11)15-14(10-22-19(15)2)24(20,21)18-9-12-5-3-4-6-13(12)17/h3-8,14-15,18H,9-10H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-2-methyl-3-(3-methylthiophen-2-yl)-1,2-oxazolidine-4-sulfonamide?
N-[(2-fluorophenyl)methyl]-2-methyl-3-(3-methylthiophen-2-yl)-1,2-oxazolidine-4-sulfonamide has a molecular weight of 370.47 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-methyl-3-(3-methylthiophen-2-yl)-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 42869523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).