sodium;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-propanoylazanide;3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one;4-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-2-yl]benzenesulfonamide

C103H84Cl3F9N10NaO17S5+ — CID 158466833

About sodium;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-propanoylazanide;3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one;4-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-2-yl]benzenesulfonamide

sodium;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-propanoylazanide;3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one;4-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-2-yl]benzenesulfonamide (PubChem CID 158466833) has the molecular formula C103H84Cl3F9N10NaO17S5+ and a molecular weight of 2194.52 g/mol. Its IUPAC name is sodium;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-propanoylazanide;3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one;4-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-2-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: sodium;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-propanoylazanide;3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one;4-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-2-yl]benzenesulfonamide
• PubChem CID: 158466833
• Molecular Formula: C103H84Cl3F9N10NaO17S5+
• Molecular Weight: 2194.52 g/mol
• Exact Mass: 2191.34
• IUPAC Name: sodium;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-propanoylazanide;3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one;4-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-2-yl]benzenesulfonamide
• SMILES: CCC(=O)[N-]S(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1.CS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)C(=O)OC2)cc1.Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1.Cc1ccc(Nc2c(Cl)cccc2Cl)c(CC(=O)O)c1.Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1.NS(=O)(=O)c1ccc(-[n+]2[nH]c(C(F)(F)F)cc2-c2ccc(C(F)(F)F)cc2)cc1.[Na+]
• InChI: InChI=1S/C19H18N2O4S.C18H15ClN2O2S.C18H13F3O4S.C17H11F6N3O2S.C16H14N2O3S.C15H13Cl2NO2.Na/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15;1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23;1-26(23,24)14-8-4-11(5-9-14)15-10-25-17(22)16(15)12-2-6-13(7-3-12)18(19,20)21;18-16(19,20)11-3-1-10(2-4-11)14-9-15(17(21,22)23)25-26(14)12-5-7-13(8-6-12)29(24,27)28;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;/h4-12H,3H2,1-2H3,(H,21,22);3-11H,1-2H3;2-9H,10H2,1H3;1-9H,(H2,24,27,28);2-10H,1H3,(H2,17,19,20);2-7,18H,8H2,1H3,(H,19,20);/q;;;;;;+1
• InChIKey: GCWJSJCPZJFWBB-UHFFFAOYSA-N
• XLogP: 20.35
• TPSA: 427.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2194.52
LogP ≤ 5	20.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-propanoylazanide;3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one;4-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-2-yl]benzenesulfonamide?

The IUPAC name of sodium;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-propanoylazanide;3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one;4-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-2-yl]benzenesulfonamide (CID 158466833) is sodium;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-propanoylazanide;3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one;4-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-2-yl]benzenesulfonamide.

What is the SMILES notation for sodium;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-propanoylazanide;3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one;4-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-2-yl]benzenesulfonamide?

The canonical SMILES for sodium;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-propanoylazanide;3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one;4-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-2-yl]benzenesulfonamide is CCC(=O)[N-]S(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1.CS(=O)(=O)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)C(=O)OC2)cc1.Cc1ccc(-c2ncc(Cl)cc2-c2ccc(S(C)(=O)=O)cc2)cn1.Cc1ccc(Nc2c(Cl)cccc2Cl)c(CC(=O)O)c1.Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1.NS(=O)(=O)c1ccc(-[n+]2[nH]c(C(F)(F)F)cc2-c2ccc(C(F)(F)F)cc2)cc1.[Na+].

What is the InChIKey of sodium;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-propanoylazanide;3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one;4-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-2-yl]benzenesulfonamide?

The InChIKey is GCWJSJCPZJFWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S.C18H15ClN2O2S.C18H13F3O4S.C17H11F6N3O2S.C16H14N2O3S.C15H13Cl2NO2.Na/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15;1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23;1-26(23,24)14-8-4-11(5-9-14)15-10-25-17(22)16(15)12-2-6-13(7-3-12)18(19,20)21;18-16(19,20)11-3-1-10(2-4-11)14-9-15(17(21,22)23)25-26(14)12-5-7-13(8-6-12)29(24,27)28;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;/h4-12H,3H2,1-2H3,(H,21,22);3-11H,1-2H3;2-9H,10H2,1H3;1-9H,(H2,24,27,28);2-10H,1H3,(H2,17,19,20);2-7,18H,8H2,1H3,(H,19,20);/q;;;;;;+1.

What are the key properties of sodium;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-propanoylazanide;3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one;4-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-2-yl]benzenesulfonamide?

sodium;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-propanoylazanide;3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one;4-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-2-yl]benzenesulfonamide has a molecular weight of 2194.52 g/mol, XLogP of 20.35, 21 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine;2-[2-(2,6-dichloroanilino)-5-methylphenyl]acetic acid;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide;[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-propanoylazanide;3-(4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one;4-[5-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-2-ium-2-yl]benzenesulfonamide is sourced from PubChem (CID 158466833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).