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

C24H25FN2O4S — CID 46071205

IUPACN-[(3-fluorophenyl)methyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
SMILESCN1OCC(S(=O)(=O)NCc2cccc(F)c2)C1c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C24H25FN2O4S/c1-27-24(20-10-6-12-22(14-20)30-16-18-7-3-2-4-8-18)23(17-31-27)32(28,29)26-15-19-9-5-11-21(25)13-19/h2-14,23-24,26H,15-17H2,1H3
InChIKeyKACLPGVIUXMMJT-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.81
Rot. Bonds8

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

N-[(3-fluorophenyl)methyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide (PubChem CID 46071205) has the molecular formula C24H25FN2O4S and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
PubChem CID46071205
Molecular FormulaC24H25FN2O4S
Molecular Weight456.54 g/mol
Exact Mass456.15
IUPAC NameN-[(3-fluorophenyl)methyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
SMILESCN1OCC(S(=O)(=O)NCc2cccc(F)c2)C1c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C24H25FN2O4S/c1-27-24(20-10-6-12-22(14-20)30-16-18-7-3-2-4-8-18)23(17-31-27)32(28,29)26-15-19-9-5-11-21(25)13-19/h2-14,23-24,26H,15-17H2,1H3
InChIKeyKACLPGVIUXMMJT-UHFFFAOYSA-N
XLogP3.81
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
(3S,4S)-N-[4-(dimethylamino)phenyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 93000274
(3S,4R)-2-methyl-N-(2-phenylethyl)-3-(4-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 98636287
2-methyl-3-phenyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 46071276
(3S,4R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-3-(3-phenoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 98633724
(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-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide
CID 46071315
(3R,4S)-2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 93000624
(3S,4R)-3-(4-methoxyphenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 98636166
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-1-phenylmethanesulfonamide
CID 35388728
(3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000153

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide (CID 46071205) is N-[(3-fluorophenyl)methyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide is CN1OCC(S(=O)(=O)NCc2cccc(F)c2)C1c1cccc(OCc2ccccc2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide?
The InChIKey is KACLPGVIUXMMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O4S/c1-27-24(20-10-6-12-22(14-20)30-16-18-7-3-2-4-8-18)23(17-31-27)32(28,29)26-15-19-9-5-11-21(25)13-19/h2-14,23-24,26H,15-17H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide?
N-[(3-fluorophenyl)methyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide has a molecular weight of 456.54 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 46071205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).