2-acetyloxybenzoic acid;2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-hydroxybenzoic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one

C82H70Cl2FN5O18S3 — CID 174932122

About 2-acetyloxybenzoic acid;2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-hydroxybenzoic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one

2-acetyloxybenzoic acid;2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-hydroxybenzoic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one (PubChem CID 174932122) has the molecular formula C82H70Cl2FN5O18S3 and a molecular weight of 1599.58 g/mol. Its IUPAC name is 2-acetyloxybenzoic acid;2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-hydroxybenzoic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one.

Molecular Properties

• Compound Name: 2-acetyloxybenzoic acid;2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-hydroxybenzoic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one
• PubChem CID: 174932122
• Molecular Formula: C82H70Cl2FN5O18S3
• Molecular Weight: 1599.58 g/mol
• Exact Mass: 1597.32
• IUPAC Name: 2-acetyloxybenzoic acid;2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-hydroxybenzoic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one
• SMILES: CC(=O)Oc1ccccc1C(=O)O.CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1.Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1.Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1.Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1.O=C(O)c1ccccc1O
• InChI: InChI=1S/C18H15ClN2O2S.C17H14O4S.C16H14N2O3S.C15H13ClFNO2.C9H8O4.C7H6O3/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23;1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13;1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13;1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17;1-6(10)13-8-5-3-2-4-7(8)9(11)12;8-6-4-2-1-3-5(6)7(9)10/h3-11H,1-2H3;2-10H,11H2,1H3;2-10H,1H3,(H2,17,19,20);2-7,18H,8H2,1H3,(H,19,20);2-5H,1H3,(H,11,12);1-4,8H,(H,9,10)
• InChIKey: QKHUMSVTULZHCZ-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 377.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1599.58
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxybenzoic acid;2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-hydroxybenzoic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one?

The IUPAC name of 2-acetyloxybenzoic acid;2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-hydroxybenzoic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one (CID 174932122) is 2-acetyloxybenzoic acid;2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-hydroxybenzoic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one.

What is the SMILES notation for 2-acetyloxybenzoic acid;2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-hydroxybenzoic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one?

The canonical SMILES for 2-acetyloxybenzoic acid;2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-hydroxybenzoic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one is CC(=O)Oc1ccccc1C(=O)O.CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1.Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1.Cc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O)c1.Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1.O=C(O)c1ccccc1O.

What is the InChIKey of 2-acetyloxybenzoic acid;2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-hydroxybenzoic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one?

The InChIKey is QKHUMSVTULZHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S.C17H14O4S.C16H14N2O3S.C15H13ClFNO2.C9H8O4.C7H6O3/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23;1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13;1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13;1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17;1-6(10)13-8-5-3-2-4-7(8)9(11)12;8-6-4-2-1-3-5(6)7(9)10/h3-11H,1-2H3;2-10H,11H2,1H3;2-10H,1H3,(H2,17,19,20);2-7,18H,8H2,1H3,(H,19,20);2-5H,1H3,(H,11,12);1-4,8H,(H,9,10).

What are the key properties of 2-acetyloxybenzoic acid;2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-hydroxybenzoic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one?

2-acetyloxybenzoic acid;2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-hydroxybenzoic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one has a molecular weight of 1599.58 g/mol, XLogP of 16.26, 16 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetyloxybenzoic acid;2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetic acid;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-hydroxybenzoic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one is sourced from PubChem (CID 174932122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).