[(3R)-2-oxooxolan-3-yl] 2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate

C18H13ClF3NO6S — CID 2646121

IUPAC[(3R)-2-oxooxolan-3-yl] 2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
SMILESO=C(O[C@@H]1CCOC1=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C18H13ClF3NO6S/c19-14-5-4-12(9-13(14)16(24)29-15-6-7-28-17(15)25)30(26,27)23-11-3-1-2-10(8-11)18(20,21)22/h1-5,8-9,15,23H,6-7H2/t15-/m1/s1
InChIKeyNQCPFBVVSNJMER-OAHLLOKOSA-N
MW463.82 g/mol
LogP3.63
Rot. Bonds5

About [(3R)-2-oxooxolan-3-yl] 2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate

[(3R)-2-oxooxolan-3-yl] 2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate (PubChem CID 2646121) has the molecular formula C18H13ClF3NO6S and a molecular weight of 463.82 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] 2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] 2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
PubChem CID2646121
Molecular FormulaC18H13ClF3NO6S
Molecular Weight463.82 g/mol
Exact Mass463.01
IUPAC Name[(3R)-2-oxooxolan-3-yl] 2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
SMILESO=C(O[C@@H]1CCOC1=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C18H13ClF3NO6S/c19-14-5-4-12(9-13(14)16(24)29-15-6-7-28-17(15)25)30(26,27)23-11-3-1-2-10(8-11)18(20,21)22/h1-5,8-9,15,23H,6-7H2/t15-/m1/s1
InChIKeyNQCPFBVVSNJMER-OAHLLOKOSA-N
XLogP3.63
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.82
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-2-oxooxolan-3-yl] 3-[(3-chlorophenyl)sulfamoyl]benzoate
CID 2463256
(2-oxooxolan-3-yl) 3-[(3-chlorophenyl)sulfamoyl]benzoate
CID 3903758
[(3S)-2-oxooxolan-3-yl] 2-chloro-5-methylsulfonylbenzoate
CID 2502939
[(3S)-2-oxooxolan-3-yl] 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzoate
CID 2513576
2-chloro-N-ethoxy-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 46536488
4-chloro-3-(thiomorpholine-4-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 55868940
N-(3-acetylphenyl)-2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 30880179
2-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 5203374
2-chloro-N-pentan-2-yl-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 43019696
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
(2-oxooxolan-3-yl) 2-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 25047929

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate (CID 2646121) is [(3R)-2-oxooxolan-3-yl] 2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] 2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] 2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate is O=C(O[C@@H]1CCOC1=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1Cl.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] 2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate?
The InChIKey is NQCPFBVVSNJMER-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H13ClF3NO6S/c19-14-5-4-12(9-13(14)16(24)29-15-6-7-28-17(15)25)30(26,27)23-11-3-1-2-10(8-11)18(20,21)22/h1-5,8-9,15,23H,6-7H2/t15-/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] 2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate?
[(3R)-2-oxooxolan-3-yl] 2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate has a molecular weight of 463.82 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] 2-chloro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate is sourced from PubChem (CID 2646121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).