2-methyl-N-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide

C16H21F3N2O4S — CID 46043903

IUPAC2-methyl-N-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide
SMILESCN1OCC(S(=O)(=O)NCC2CCCO2)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O4S/c1-21-15(11-4-2-5-12(8-11)16(17,18)19)14(10-25-21)26(22,23)20-9-13-6-3-7-24-13/h2,4-5,8,13-15,20H,3,6-7,9-10H2,1H3
InChIKeyCHWGEPBYRKRMPC-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.09
Rot. Bonds5

About 2-methyl-N-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide

2-methyl-N-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide (PubChem CID 46043903) has the molecular formula C16H21F3N2O4S and a molecular weight of 394.42 g/mol. Its IUPAC name is 2-methyl-N-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide
PubChem CID46043903
Molecular FormulaC16H21F3N2O4S
Molecular Weight394.42 g/mol
Exact Mass394.12
IUPAC Name2-methyl-N-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide
SMILESCN1OCC(S(=O)(=O)NCC2CCCO2)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O4S/c1-21-15(11-4-2-5-12(8-11)16(17,18)19)14(10-25-21)26(22,23)20-9-13-6-3-7-24-13/h2,4-5,8,13-15,20H,3,6-7,9-10H2,1H3
InChIKeyCHWGEPBYRKRMPC-UHFFFAOYSA-N
XLogP2.09
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 98633724
3-(2,5-dimethoxyphenyl)-2-methyl-N-(oxolan-2-ylmethyl)-1,2-oxazolidine-4-sulfonamide
CID 42851273
(3R,4S)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 93000624
(3R,4R)-2-methyl-N-[(3-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide
CID 93000102
3-(3-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide
CID 42869560
3-(3-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide
CID 46071315
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide
CID 46071110
2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 119686315
1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride
CID 17151637
(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
trans-(1S,2S)-N-[2-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96511366

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of 2-methyl-N-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide (CID 46043903) is 2-methyl-N-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for 2-methyl-N-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for 2-methyl-N-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide is CN1OCC(S(=O)(=O)NCC2CCCO2)C1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide?
The InChIKey is CHWGEPBYRKRMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O4S/c1-21-15(11-4-2-5-12(8-11)16(17,18)19)14(10-25-21)26(22,23)20-9-13-6-3-7-24-13/h2,4-5,8,13-15,20H,3,6-7,9-10H2,1H3.
What are the key properties of 2-methyl-N-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide?
2-methyl-N-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide has a molecular weight of 394.42 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 46043903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).