N-butan-2-yl-3-(2,5-difluorophenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide

C14H20F2N2O3S — CID 83280968

IUPACN-butan-2-yl-3-(2,5-difluorophenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
SMILESCCC(C)NS(=O)(=O)C1CON(C)C1c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2O3S/c1-4-9(2)17-22(19,20)13-8-21-18(3)14(13)11-7-10(15)5-6-12(11)16/h5-7,9,13-14,17H,4,8H2,1-3H3
InChIKeyHWEZELWUYGFNFN-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.97
Rot. Bonds5

About N-butan-2-yl-3-(2,5-difluorophenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide

N-butan-2-yl-3-(2,5-difluorophenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide (PubChem CID 83280968) has the molecular formula C14H20F2N2O3S and a molecular weight of 334.39 g/mol. Its IUPAC name is N-butan-2-yl-3-(2,5-difluorophenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2,5-difluorophenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
PubChem CID83280968
Molecular FormulaC14H20F2N2O3S
Molecular Weight334.39 g/mol
Exact Mass334.12
IUPAC NameN-butan-2-yl-3-(2,5-difluorophenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
SMILESCCC(C)NS(=O)(=O)C1CON(C)C1c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2O3S/c1-4-9(2)17-22(19,20)13-8-21-18(3)14(13)11-7-10(15)5-6-12(11)16/h5-7,9,13-14,17H,4,8H2,1-3H3
InChIKeyHWEZELWUYGFNFN-UHFFFAOYSA-N
XLogP1.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2,5-difluorophenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of N-butan-2-yl-3-(2,5-difluorophenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide (CID 83280968) is N-butan-2-yl-3-(2,5-difluorophenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for N-butan-2-yl-3-(2,5-difluorophenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for N-butan-2-yl-3-(2,5-difluorophenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide is CCC(C)NS(=O)(=O)C1CON(C)C1c1cc(F)ccc1F.
What is the InChIKey of N-butan-2-yl-3-(2,5-difluorophenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide?
The InChIKey is HWEZELWUYGFNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O3S/c1-4-9(2)17-22(19,20)13-8-21-18(3)14(13)11-7-10(15)5-6-12(11)16/h5-7,9,13-14,17H,4,8H2,1-3H3.
What are the key properties of N-butan-2-yl-3-(2,5-difluorophenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide?
N-butan-2-yl-3-(2,5-difluorophenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide has a molecular weight of 334.39 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2,5-difluorophenyl)-2-methyl-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 83280968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).