N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-ethoxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide

C106H92Cl3F8N10O20S5+ — CID 158213842

IUPACN-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-ethoxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2C(=O)c2ccncc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cc[n+](O)cc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2cccc(F)c2)cc1.CC(C)c1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2cccc(F)c2)cc1.CCOc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2C(=O)c2ccncc2)cc1
InChIInChI=1S/C22H19F3N2O4S.C21H18ClFN2O4S.C21H18ClFN2O3S.C21H19ClN2O5S.C21H17F3N2O4S/c1-14(2)31-17-4-6-18(7-5-17)32(29,30)27-20-8-3-16(22(23,24)25)13-19(20)21(28)15-9-11-26-12-10-15;1-13(2)29-17-6-8-18(9-7-17)30(27,28)25-21-19(11-15(22)12-24-21)20(26)14-4-3-5-16(23)10-14;1-13(2)14-6-8-18(9-7-14)29(27,28)25-21-19(11-16(22)12-24-21)20(26)15-4-3-5-17(23)10-15;1-14(2)29-17-4-6-18(7-5-17)30(27,28)23-20-8-3-16(22)13-19(20)21(25)15-9-11-24(26)12-10-15;1-2-30-16-4-6-17(7-5-16)31(28,29)26-19-8-3-15(21(22,23)24)13-18(19)20(27)14-9-11-25-12-10-14/h3-14,27H,1-2H3;3-13H,1-2H3,(H,24,25);3-13H,1-2H3,(H,24,25);3-14H,1-2H3,(H-,23,25,26);3-13,26H,2H2,1H3/p+1
InChIKeyGCJZGYLFRJRAJH-UHFFFAOYSA-O
MW2244.63 g/mol
LogP22.86
Rot. Bonds34

About N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-ethoxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide

N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-ethoxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 158213842) has the molecular formula C106H92Cl3F8N10O20S5+ and a molecular weight of 2244.63 g/mol. Its IUPAC name is N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-ethoxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-ethoxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID158213842
Molecular FormulaC106H92Cl3F8N10O20S5+
Molecular Weight2244.63 g/mol
Exact Mass2241.40
IUPAC NameN-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-ethoxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2C(=O)c2ccncc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cc[n+](O)cc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2cccc(F)c2)cc1.CC(C)c1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2cccc(F)c2)cc1.CCOc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2C(=O)c2ccncc2)cc1
InChIInChI=1S/C22H19F3N2O4S.C21H18ClFN2O4S.C21H18ClFN2O3S.C21H19ClN2O5S.C21H17F3N2O4S/c1-14(2)31-17-4-6-18(7-5-17)32(29,30)27-20-8-3-16(22(23,24)25)13-19(20)21(28)15-9-11-26-12-10-15;1-13(2)29-17-6-8-18(9-7-17)30(27,28)25-21-19(11-15(22)12-24-21)20(26)14-4-3-5-16(23)10-14;1-13(2)14-6-8-18(9-7-14)29(27,28)25-21-19(11-16(22)12-24-21)20(26)15-4-3-5-17(23)10-15;1-14(2)29-17-4-6-18(7-5-17)30(27,28)23-20-8-3-16(22)13-19(20)21(25)15-9-11-24(26)12-10-15;1-2-30-16-4-6-17(7-5-16)31(28,29)26-19-8-3-15(21(22,23)24)13-18(19)20(27)14-9-11-25-12-10-14/h3-14,27H,1-2H3;3-13H,1-2H3,(H,24,25);3-13H,1-2H3,(H,24,25);3-14H,1-2H3,(H-,23,25,26);3-13,26H,2H2,1H3/p+1
InChIKeyGCJZGYLFRJRAJH-UHFFFAOYSA-O
XLogP22.86
TPSA428.79 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds34
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002244.63
LogP ≤ 522.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-ethoxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-ethoxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-ethoxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 158213842) is N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-ethoxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-ethoxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-ethoxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2C(=O)c2ccncc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cc[n+](O)cc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2cccc(F)c2)cc1.CC(C)c1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2cccc(F)c2)cc1.CCOc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2C(=O)c2ccncc2)cc1.
What is the InChIKey of N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-ethoxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is GCJZGYLFRJRAJH-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H19F3N2O4S.C21H18ClFN2O4S.C21H18ClFN2O3S.C21H19ClN2O5S.C21H17F3N2O4S/c1-14(2)31-17-4-6-18(7-5-17)32(29,30)27-20-8-3-16(22(23,24)25)13-19(20)21(28)15-9-11-26-12-10-15;1-13(2)29-17-6-8-18(9-7-17)30(27,28)25-21-19(11-15(22)12-24-21)20(26)14-4-3-5-16(23)10-14;1-13(2)14-6-8-18(9-7-14)29(27,28)25-21-19(11-16(22)12-24-21)20(26)15-4-3-5-17(23)10-15;1-14(2)29-17-4-6-18(7-5-17)30(27,28)23-20-8-3-16(22)13-19(20)21(25)15-9-11-24(26)12-10-15;1-2-30-16-4-6-17(7-5-16)31(28,29)26-19-8-3-15(21(22,23)24)13-18(19)20(27)14-9-11-25-12-10-14/h3-14,27H,1-2H3;3-13H,1-2H3,(H,24,25);3-13H,1-2H3,(H,24,25);3-14H,1-2H3,(H-,23,25,26);3-13,26H,2H2,1H3/p+1.
What are the key properties of N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-ethoxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide?
N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-ethoxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 2244.63 g/mol, XLogP of 22.86, 34 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-ethoxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 158213842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).