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

C18H21FN2O3S — CID 42869560

IUPAC3-(3-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide
SMILESCc1cccc(CNS(=O)(=O)C2CON(C)C2c2cccc(F)c2)c1
InChIInChI=1S/C18H21FN2O3S/c1-13-5-3-6-14(9-13)11-20-25(22,23)17-12-24-21(2)18(17)15-7-4-8-16(19)10-15/h3-10,17-18,20H,11-12H2,1-2H3
InChIKeyMXVQHCSGIJKMRJ-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.54
Rot. Bonds5

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

3-(3-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide (PubChem CID 42869560) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide
PubChem CID42869560
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name3-(3-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide
SMILESCc1cccc(CNS(=O)(=O)C2CON(C)C2c2cccc(F)c2)c1
InChIInChI=1S/C18H21FN2O3S/c1-13-5-3-6-14(9-13)11-20-25(22,23)17-12-24-21(2)18(17)15-7-4-8-16(19)10-15/h3-10,17-18,20H,11-12H2,1-2H3
InChIKeyMXVQHCSGIJKMRJ-UHFFFAOYSA-N
XLogP2.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-2-methyl-N-[(3-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide
CID 93000102
(3R,4S)-3-(4-tert-butylphenyl)-N-[(3-fluorophenyl)methyl]-2-methyl-1,2-oxazolidine-4-sulfonamide
CID 93000351
N-[(3-fluorophenyl)methyl]-2-methyl-3-(3-phenylmethoxyphenyl)-1,2-oxazolidine-4-sulfonamide
CID 46071205
3-(3-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-oxazolidine-4-sulfonamide
CID 46071315
3-(4-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazolidine-4-sulfonamide
CID 42869443
N-[(3-methylphenyl)methyl]cyclopropanesulfonamide
CID 118928947
2-methyl-N-(oxolan-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2-oxazolidine-4-sulfonamide
CID 46043903
methyl 2-[(3-methylphenyl)methylsulfamoyl]cyclopentane-1-carboxylate
CID 103342542
(3S,4S)-3-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 93000153
2,5-difluoro-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 47155184
(3S,4R)-3-(4-methoxyphenyl)-2-methyl-N-(2-phenylethyl)-1,2-oxazolidine-4-sulfonamide
CID 98636166
1-methyl-3-[(sulfamoylamino)methyl]benzene
CID 66917095

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of 3-(3-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide (CID 42869560) is 3-(3-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for 3-(3-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for 3-(3-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide is Cc1cccc(CNS(=O)(=O)C2CON(C)C2c2cccc(F)c2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide?
The InChIKey is MXVQHCSGIJKMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-13-5-3-6-14(9-13)11-20-25(22,23)17-12-24-21(2)18(17)15-7-4-8-16(19)10-15/h3-10,17-18,20H,11-12H2,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide?
3-(3-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide has a molecular weight of 364.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-methyl-N-[(3-methylphenyl)methyl]-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 42869560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).