3-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide

C16H18FN3O3S — CID 42869443

IUPAC3-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide
SMILESCN1OCC(S(=O)(=O)NCc2cccnc2)C1c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O3S/c1-20-16(13-4-6-14(17)7-5-13)15(11-23-20)24(21,22)19-10-12-3-2-8-18-9-12/h2-9,15-16,19H,10-11H2,1H3
InChIKeyWGEXDGXQNMRZEZ-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.63
Rot. Bonds5

About 3-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide

3-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide (PubChem CID 42869443) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide
PubChem CID42869443
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name3-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide
SMILESCN1OCC(S(=O)(=O)NCc2cccnc2)C1c1ccc(F)cc1
InChIInChI=1S/C16H18FN3O3S/c1-20-16(13-4-6-14(17)7-5-13)15(11-23-20)24(21,22)19-10-12-3-2-8-18-9-12/h2-9,15-16,19H,10-11H2,1H3
InChIKeyWGEXDGXQNMRZEZ-UHFFFAOYSA-N
XLogP1.63
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869553
(3R,4S)-3-(4-tert-butylphenyl)-N-[(3-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide
CID 93000351
2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 46071276
(3S,4R)-2-methyl-N-(2-phenylethyl)-3-(4-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 98636287
(2S,3R)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 97457753
(3R,4S)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 93000624
N-[(2-fluorophenyl)methyl]-2-methyl-3-(3-methylthiophen-2-yl)-1,2-oxazolidine-4-sulfonamide
CID 42869523
4-methoxy-N-(2-pyridin-3-ylethyl)oxolane-3-sulfonamide
CID 166331942
2-[(4-fluorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide
CID 112993090
5-fluoro-2-(methylaminomethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030781
4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
CID 7618448
N-[[(2S)-3-(4-fluorophenyl)sulfonyl-1,3-oxazolidin-2-yl]methyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 40785468

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of 3-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide (CID 42869443) is 3-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide is CN1OCC(S(=O)(=O)NCc2cccnc2)C1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide?
The InChIKey is WGEXDGXQNMRZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-20-16(13-4-6-14(17)7-5-13)15(11-23-20)24(21,22)19-10-12-3-2-8-18-9-12/h2-9,15-16,19H,10-11H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide?
3-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide has a molecular weight of 351.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 42869443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).