4-[3-(4-chlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

C62H48ClF6N11O12S4 — CID 158722804

IUPAC4-[3-(4-chlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccnc2)cc1.NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2CO)cc1.NS(=O)(=O)c1ccc(-c2coc(=O)n2-c2ccc(Cl)cc2)cc1.NS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccnc2)cc1
InChIInChI=1S/C16H12F3N3O2S.C16H14N2O4S.C15H11ClN2O4S.C15H11F3N4O2S/c1-25(23,24)13-6-4-12(5-7-13)22-10-14(16(17,18)19)21-15(22)11-3-2-8-20-9-11;17-23(20,21)13-8-6-11(7-9-13)15-14(10-19)22-18-16(15)12-4-2-1-3-5-12;16-11-3-5-12(6-4-11)18-14(9-22-15(18)19)10-1-7-13(8-2-10)23(17,20)21;16-15(17,18)13-9-22(14(21-13)10-2-1-7-20-8-10)11-3-5-12(6-4-11)25(19,23)24/h2-10H,1H3;1-9,19H,10H2,(H2,17,20,21);1-9H,(H2,17,20,21);1-9H,(H2,19,23,24)
InChIKeyIKCYPVZRGGFVAY-UHFFFAOYSA-N
MW1416.84 g/mol
LogP10.50
Rot. Bonds13

About 4-[3-(4-chlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide

4-[3-(4-chlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (PubChem CID 158722804) has the molecular formula C62H48ClF6N11O12S4 and a molecular weight of 1416.84 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
PubChem CID158722804
Molecular FormulaC62H48ClF6N11O12S4
Molecular Weight1416.84 g/mol
Exact Mass1415.20
IUPAC Name4-[3-(4-chlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccnc2)cc1.NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2CO)cc1.NS(=O)(=O)c1ccc(-c2coc(=O)n2-c2ccc(Cl)cc2)cc1.NS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccnc2)cc1
InChIInChI=1S/C16H12F3N3O2S.C16H14N2O4S.C15H11ClN2O4S.C15H11F3N4O2S/c1-25(23,24)13-6-4-12(5-7-13)22-10-14(16(17,18)19)21-15(22)11-3-2-8-20-9-11;17-23(20,21)13-8-6-11(7-9-13)15-14(10-19)22-18-16(15)12-4-2-1-3-5-12;16-11-3-5-12(6-4-11)18-14(9-22-15(18)19)10-1-7-13(8-2-10)23(17,20)21;16-15(17,18)13-9-22(14(21-13)10-2-1-7-20-8-10)11-3-5-12(6-4-11)25(19,23)24/h2-10H,1H3;1-9,19H,10H2,(H2,17,20,21);1-9H,(H2,17,20,21);1-9H,(H2,19,23,24)
InChIKeyIKCYPVZRGGFVAY-UHFFFAOYSA-N
XLogP10.50
TPSA357.44 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001416.84
LogP ≤ 510.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 4-[3-(4-chlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide (CID 158722804) is 4-[3-(4-chlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccnc2)cc1.NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2CO)cc1.NS(=O)(=O)c1ccc(-c2coc(=O)n2-c2ccc(Cl)cc2)cc1.NS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccnc2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
The InChIKey is IKCYPVZRGGFVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S.C16H14N2O4S.C15H11ClN2O4S.C15H11F3N4O2S/c1-25(23,24)13-6-4-12(5-7-13)22-10-14(16(17,18)19)21-15(22)11-3-2-8-20-9-11;17-23(20,21)13-8-6-11(7-9-13)15-14(10-19)22-18-16(15)12-4-2-1-3-5-12;16-11-3-5-12(6-4-11)18-14(9-22-15(18)19)10-1-7-13(8-2-10)23(17,20)21;16-15(17,18)13-9-22(14(21-13)10-2-1-7-20-8-10)11-3-5-12(6-4-11)25(19,23)24/h2-10H,1H3;1-9,19H,10H2,(H2,17,20,21);1-9H,(H2,17,20,21);1-9H,(H2,19,23,24).
What are the key properties of 4-[3-(4-chlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide?
4-[3-(4-chlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide has a molecular weight of 1416.84 g/mol, XLogP of 10.50, 13 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 158722804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).