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

C19H21F3N2O3S — CID 93000102

IUPAC(3R,4R)-2-methyl-N-[(3-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide
SMILESCc1cccc(CNS(=O)(=O)[C@H]2CON(C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H21F3N2O3S/c1-13-4-3-5-14(10-13)11-23-28(25,26)17-12-27-24(2)18(17)15-6-8-16(9-7-15)19(20,21)22/h3-10,17-18,23H,11-12H2,1-2H3/t17-,18+/m0/s1
InChIKeyUZUJVYCADVRNII-ZWKOTPCHSA-N
MW414.45 g/mol
LogP3.42
Rot. Bonds5

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

(3R,4R)-2-methyl-N-[(3-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide (PubChem CID 93000102) has the molecular formula C19H21F3N2O3S and a molecular weight of 414.45 g/mol. Its IUPAC name is (3R,4R)-2-methyl-N-[(3-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name(3R,4R)-2-methyl-N-[(3-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide
PubChem CID93000102
Molecular FormulaC19H21F3N2O3S
Molecular Weight414.45 g/mol
Exact Mass414.12
IUPAC Name(3R,4R)-2-methyl-N-[(3-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide
SMILESCc1cccc(CNS(=O)(=O)[C@H]2CON(C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H21F3N2O3S/c1-13-4-3-5-14(10-13)11-23-28(25,26)17-12-27-24(2)18(17)15-6-8-16(9-7-15)19(20,21)22/h3-10,17-18,23H,11-12H2,1-2H3/t17-,18+/m0/s1
InChIKeyUZUJVYCADVRNII-ZWKOTPCHSA-N
XLogP3.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-2-methyl-N-[(3-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide
CID 42869560
(3R,4S)-3-(4-tert-butylphenyl)-N-[(3-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide
CID 93000351
(3R,4S)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 93000624
(3R,4R)-3-(4-tert-butylphenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000329
3-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869443
2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 46071276
2-methyl-N-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide
CID 46043903
N-benzyl-2-methyl-3-(3-nitrophenyl)-1,2-oxazolidine-4-sulfonamide
CID 46043808
N-[(3-methylphenyl)methyl]cyclopropanesulfonamide
CID 118928947
(3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000153
(3S,4R)-3-(4-methoxyphenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 98636166
(3S,4R)-2-methyl-N-(2-phenylethyl)-3-(4-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 98636287

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-2-methyl-N-[(3-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of (3R,4R)-2-methyl-N-[(3-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide (CID 93000102) is (3R,4R)-2-methyl-N-[(3-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for (3R,4R)-2-methyl-N-[(3-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for (3R,4R)-2-methyl-N-[(3-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide is Cc1cccc(CNS(=O)(=O)[C@H]2CON(C)[C@@H]2c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of (3R,4R)-2-methyl-N-[(3-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide?
The InChIKey is UZUJVYCADVRNII-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H21F3N2O3S/c1-13-4-3-5-14(10-13)11-23-28(25,26)17-12-27-24(2)18(17)15-6-8-16(9-7-15)19(20,21)22/h3-10,17-18,23H,11-12H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of (3R,4R)-2-methyl-N-[(3-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide?
(3R,4R)-2-methyl-N-[(3-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide has a molecular weight of 414.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-2-methyl-N-[(3-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 93000102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).