[2-[(2-benzoyl-4-chlorophenyl)sulfamoyl]phenyl]-methyl-oxoazanium;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-methylbenzenesulfonamide;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;5-benzoyl-6-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-3-carboxylic acid;N-(5-benzoylpyrimidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;N-[3-benzoyl-5-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide

C124H108ClF3N15O29S6+ — CID 158256487

IUPAC[2-[(2-benzoyl-4-chlorophenyl)sulfamoyl]phenyl]-methyl-oxoazanium;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-methylbenzenesulfonamide;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;5-benzoyl-6-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-3-carboxylic acid;N-(5-benzoylpyrimidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;N-[3-benzoyl-5-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2ncc(C(=O)O)cc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)cc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncncc2C(=O)c2ccccc2)cc1.C[N+](=O)c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.Cc1ccc(S(=O)(=O)Nc2ncc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19F3N2O4S.C22H20N2O6S.C21H19N3O6S.C20H15ClN2O4S.C20H19N3O4S.C19H15N3O5S/c1-14(2)31-17-8-10-18(11-9-17)32(29,30)27-21-19(12-16(13-26-21)22(23,24)25)20(28)15-6-4-3-5-7-15;1-14(2)30-17-8-10-18(11-9-17)31(28,29)24-21-19(12-16(13-23-21)22(26)27)20(25)15-6-4-3-5-7-15;1-14(2)30-17-8-10-18(11-9-17)31(28,29)23-21-19(12-16(13-22-21)24(26)27)20(25)15-6-4-3-5-7-15;1-23(25)18-9-5-6-10-19(18)28(26,27)22-17-12-11-15(21)13-16(17)20(24)14-7-3-2-4-8-14;1-14(2)27-16-8-10-17(11-9-16)28(25,26)23-20-18(12-21-13-22-20)19(24)15-6-4-3-5-7-15;1-13-7-9-16(10-8-13)28(26,27)21-19-17(11-15(12-20-19)22(24)25)18(23)14-5-3-2-4-6-14/h3-14H,1-2H3,(H,26,27);3-14H,1-2H3,(H,23,24)(H,26,27);3-14H,1-2H3,(H,22,23);2-13H,1H3;3-14H,1-2H3,(H,21,22,23);2-12H,1H3,(H,20,21)/p+1
InChIKeyATOLAROIHWNTBJ-UHFFFAOYSA-O
MW2557.15 g/mol
LogP23.36
Rot. Bonds42

About [2-[(2-benzoyl-4-chlorophenyl)sulfamoyl]phenyl]-methyl-oxoazanium;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-methylbenzenesulfonamide;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;5-benzoyl-6-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-3-carboxylic acid;N-(5-benzoylpyrimidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;N-[3-benzoyl-5-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide

[2-[(2-benzoyl-4-chlorophenyl)sulfamoyl]phenyl]-methyl-oxoazanium;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-methylbenzenesulfonamide;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;5-benzoyl-6-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-3-carboxylic acid;N-(5-benzoylpyrimidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;N-[3-benzoyl-5-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 158256487) has the molecular formula C124H108ClF3N15O29S6+ and a molecular weight of 2557.15 g/mol. Its IUPAC name is [2-[(2-benzoyl-4-chlorophenyl)sulfamoyl]phenyl]-methyl-oxoazanium;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-methylbenzenesulfonamide;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;5-benzoyl-6-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-3-carboxylic acid;N-(5-benzoylpyrimidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;N-[3-benzoyl-5-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name[2-[(2-benzoyl-4-chlorophenyl)sulfamoyl]phenyl]-methyl-oxoazanium;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-methylbenzenesulfonamide;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;5-benzoyl-6-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-3-carboxylic acid;N-(5-benzoylpyrimidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;N-[3-benzoyl-5-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID158256487
Molecular FormulaC124H108ClF3N15O29S6+
Molecular Weight2557.15 g/mol
Exact Mass2554.54
IUPAC Name[2-[(2-benzoyl-4-chlorophenyl)sulfamoyl]phenyl]-methyl-oxoazanium;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-methylbenzenesulfonamide;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;5-benzoyl-6-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-3-carboxylic acid;N-(5-benzoylpyrimidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;N-[3-benzoyl-5-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2ncc(C(=O)O)cc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)cc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncncc2C(=O)c2ccccc2)cc1.C[N+](=O)c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.Cc1ccc(S(=O)(=O)Nc2ncc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H19F3N2O4S.C22H20N2O6S.C21H19N3O6S.C20H15ClN2O4S.C20H19N3O4S.C19H15N3O5S/c1-14(2)31-17-8-10-18(11-9-17)32(29,30)27-21-19(12-16(13-26-21)22(23,24)25)20(28)15-6-4-3-5-7-15;1-14(2)30-17-8-10-18(11-9-17)31(28,29)24-21-19(12-16(13-23-21)22(26)27)20(25)15-6-4-3-5-7-15;1-14(2)30-17-8-10-18(11-9-17)31(28,29)23-21-19(12-16(13-22-21)24(26)27)20(25)15-6-4-3-5-7-15;1-23(25)18-9-5-6-10-19(18)28(26,27)22-17-12-11-15(21)13-16(17)20(24)14-7-3-2-4-8-14;1-14(2)27-16-8-10-17(11-9-16)28(25,26)23-20-18(12-21-13-22-20)19(24)15-6-4-3-5-7-15;1-13-7-9-16(10-8-13)28(26,27)21-19-17(11-15(12-20-19)22(24)25)18(23)14-5-3-2-4-6-14/h3-14H,1-2H3,(H,26,27);3-14H,1-2H3,(H,23,24)(H,26,27);3-14H,1-2H3,(H,22,23);2-13H,1H3;3-14H,1-2H3,(H,21,22,23);2-12H,1H3,(H,20,21)/p+1
InChIKeyATOLAROIHWNTBJ-UHFFFAOYSA-O
XLogP23.36
TPSA637.36 Ų
H-Bond Donors7
H-Bond Acceptors34
Rotatable Bonds42
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002557.15
LogP ≤ 523.36
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [2-[(2-benzoyl-4-chlorophenyl)sulfamoyl]phenyl]-methyl-oxoazanium;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-methylbenzenesulfonamide;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;5-benzoyl-6-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-3-carboxylic acid;N-(5-benzoylpyrimidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;N-[3-benzoyl-5-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-benzoyl-4-chlorophenyl)sulfamoyl]phenyl]-methyl-oxoazanium;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-methylbenzenesulfonamide;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;5-benzoyl-6-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-3-carboxylic acid;N-(5-benzoylpyrimidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;N-[3-benzoyl-5-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of [2-[(2-benzoyl-4-chlorophenyl)sulfamoyl]phenyl]-methyl-oxoazanium;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-methylbenzenesulfonamide;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;5-benzoyl-6-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-3-carboxylic acid;N-(5-benzoylpyrimidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;N-[3-benzoyl-5-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide (CID 158256487) is [2-[(2-benzoyl-4-chlorophenyl)sulfamoyl]phenyl]-methyl-oxoazanium;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-methylbenzenesulfonamide;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;5-benzoyl-6-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-3-carboxylic acid;N-(5-benzoylpyrimidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;N-[3-benzoyl-5-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for [2-[(2-benzoyl-4-chlorophenyl)sulfamoyl]phenyl]-methyl-oxoazanium;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-methylbenzenesulfonamide;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;5-benzoyl-6-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-3-carboxylic acid;N-(5-benzoylpyrimidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;N-[3-benzoyl-5-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for [2-[(2-benzoyl-4-chlorophenyl)sulfamoyl]phenyl]-methyl-oxoazanium;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-methylbenzenesulfonamide;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;5-benzoyl-6-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-3-carboxylic acid;N-(5-benzoylpyrimidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;N-[3-benzoyl-5-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(C(=O)O)cc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)cc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncncc2C(=O)c2ccccc2)cc1.C[N+](=O)c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1.Cc1ccc(S(=O)(=O)Nc2ncc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1.
What is the InChIKey of [2-[(2-benzoyl-4-chlorophenyl)sulfamoyl]phenyl]-methyl-oxoazanium;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-methylbenzenesulfonamide;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;5-benzoyl-6-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-3-carboxylic acid;N-(5-benzoylpyrimidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;N-[3-benzoyl-5-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is ATOLAROIHWNTBJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H19F3N2O4S.C22H20N2O6S.C21H19N3O6S.C20H15ClN2O4S.C20H19N3O4S.C19H15N3O5S/c1-14(2)31-17-8-10-18(11-9-17)32(29,30)27-21-19(12-16(13-26-21)22(23,24)25)20(28)15-6-4-3-5-7-15;1-14(2)30-17-8-10-18(11-9-17)31(28,29)24-21-19(12-16(13-23-21)22(26)27)20(25)15-6-4-3-5-7-15;1-14(2)30-17-8-10-18(11-9-17)31(28,29)23-21-19(12-16(13-22-21)24(26)27)20(25)15-6-4-3-5-7-15;1-23(25)18-9-5-6-10-19(18)28(26,27)22-17-12-11-15(21)13-16(17)20(24)14-7-3-2-4-8-14;1-14(2)27-16-8-10-17(11-9-16)28(25,26)23-20-18(12-21-13-22-20)19(24)15-6-4-3-5-7-15;1-13-7-9-16(10-8-13)28(26,27)21-19-17(11-15(12-20-19)22(24)25)18(23)14-5-3-2-4-6-14/h3-14H,1-2H3,(H,26,27);3-14H,1-2H3,(H,23,24)(H,26,27);3-14H,1-2H3,(H,22,23);2-13H,1H3;3-14H,1-2H3,(H,21,22,23);2-12H,1H3,(H,20,21)/p+1.
What are the key properties of [2-[(2-benzoyl-4-chlorophenyl)sulfamoyl]phenyl]-methyl-oxoazanium;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-methylbenzenesulfonamide;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;5-benzoyl-6-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-3-carboxylic acid;N-(5-benzoylpyrimidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;N-[3-benzoyl-5-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide?
[2-[(2-benzoyl-4-chlorophenyl)sulfamoyl]phenyl]-methyl-oxoazanium;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-methylbenzenesulfonamide;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;5-benzoyl-6-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-3-carboxylic acid;N-(5-benzoylpyrimidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;N-[3-benzoyl-5-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 2557.15 g/mol, XLogP of 23.36, 42 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-benzoyl-4-chlorophenyl)sulfamoyl]phenyl]-methyl-oxoazanium;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-methylbenzenesulfonamide;N-(3-benzoyl-5-nitro-2-pyridinyl)-4-propan-2-yloxybenzenesulfonamide;5-benzoyl-6-[(4-propan-2-yloxyphenyl)sulfonylamino]pyridine-3-carboxylic acid;N-(5-benzoylpyrimidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;N-[3-benzoyl-5-(trifluoromethyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 158256487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).