N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide

C17H14ClF3N2O4S — CID 16922546

IUPACN-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C1OC(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CN1c1cccc(Cl)c1
InChIInChI=1S/C17H14ClF3N2O4S/c18-12-4-2-5-13(8-12)23-10-14(27-16(23)24)9-22-28(25,26)15-6-1-3-11(7-15)17(19,20)21/h1-8,14,22H,9-10H2
InChIKeyGFGSREAGZPRKDD-UHFFFAOYSA-N
MW434.82 g/mol
LogP3.66
Rot. Bonds5

About N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide

N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 16922546) has the molecular formula C17H14ClF3N2O4S and a molecular weight of 434.82 g/mol. Its IUPAC name is N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID16922546
Molecular FormulaC17H14ClF3N2O4S
Molecular Weight434.82 g/mol
Exact Mass434.03
IUPAC NameN-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=C1OC(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CN1c1cccc(Cl)c1
InChIInChI=1S/C17H14ClF3N2O4S/c18-12-4-2-5-13(8-12)23-10-14(27-16(23)24)9-22-28(25,26)15-6-1-3-11(7-15)17(19,20)21/h1-8,14,22H,9-10H2
InChIKeyGFGSREAGZPRKDD-UHFFFAOYSA-N
XLogP3.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.82
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922519
N-[[(5R)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 40839197
4-chloro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 16922365
3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 110294186
N-[[2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]cyclopropanecarboxamide
CID 110328375
4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
CID 16922728
6-chloro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyridine-3-sulfonamide
CID 110310960
N-[[2-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110328384
5-chloro-N-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide
CID 110327729
N-[(3-chlorocyclobutyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 66004822
N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 78138838
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 40912181

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 16922546) is N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide is O=C1OC(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CN1c1cccc(Cl)c1.
What is the InChIKey of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GFGSREAGZPRKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O4S/c18-12-4-2-5-13(8-12)23-10-14(27-16(23)24)9-22-28(25,26)15-6-1-3-11(7-15)17(19,20)21/h1-8,14,22H,9-10H2.
What are the key properties of N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 434.82 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 16922546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).