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

C107H95Cl3F7N10O19S5+ — CID 158218513

IUPACN-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propyl-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)Nc2ccc(Cl)cc2C(=O)c2ccncc2)cc1.CC(C)c1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2cccc(F)c2)cc1.CCCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2C(=O)c2ccncc2)cc1
InChIInChI=1S/C22H19F3N2O4S.C22H19F3N2O3S.C21H18ClFN2O3S.C21H19ClN2O5S.C21H19ClN2O4S/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;1-2-3-15-4-7-18(8-5-15)31(29,30)27-20-9-6-17(22(23,24)25)14-19(20)21(28)16-10-12-26-13-11-16;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;1-14(2)28-17-4-6-18(7-5-17)29(26,27)24-20-8-3-16(22)13-19(20)21(25)15-9-11-23-12-10-15/h3-14,27H,1-2H3;4-14,27H,2-3H2,1H3;3-13H,1-2H3,(H,24,25);3-14H,1-2H3,(H-,23,25,26);3-14,24H,1-2H3/p+1
InChIKeyGCYOBTCBNAMNEU-UHFFFAOYSA-O
MW2224.67 g/mol
LogP23.27
Rot. Bonds34

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

N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propyl-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 158218513) has the molecular formula C107H95Cl3F7N10O19S5+ and a molecular weight of 2224.67 g/mol. Its IUPAC name is N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propyl-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-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propyl-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID158218513
Molecular FormulaC107H95Cl3F7N10O19S5+
Molecular Weight2224.67 g/mol
Exact Mass2221.43
IUPAC NameN-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propyl-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)Nc2ccc(Cl)cc2C(=O)c2ccncc2)cc1.CC(C)c1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2cccc(F)c2)cc1.CCCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2C(=O)c2ccncc2)cc1
InChIInChI=1S/C22H19F3N2O4S.C22H19F3N2O3S.C21H18ClFN2O3S.C21H19ClN2O5S.C21H19ClN2O4S/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;1-2-3-15-4-7-18(8-5-15)31(29,30)27-20-9-6-17(22(23,24)25)14-19(20)21(28)16-10-12-26-13-11-16;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;1-14(2)28-17-4-6-18(7-5-17)29(26,27)24-20-8-3-16(22)13-19(20)21(25)15-9-11-23-12-10-15/h3-14,27H,1-2H3;4-14,27H,2-3H2,1H3;3-13H,1-2H3,(H,24,25);3-14H,1-2H3,(H-,23,25,26);3-14,24H,1-2H3/p+1
InChIKeyGCYOBTCBNAMNEU-UHFFFAOYSA-O
XLogP23.27
TPSA419.56 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds34
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002224.67
LogP ≤ 523.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

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-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propyl-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-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propyl-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-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propyl-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide (CID 158218513) is N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propyl-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-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propyl-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-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propyl-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)Nc2ccc(Cl)cc2C(=O)c2ccncc2)cc1.CC(C)c1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2cccc(F)c2)cc1.CCCc1ccc(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-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propyl-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is GCYOBTCBNAMNEU-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H19F3N2O4S.C22H19F3N2O3S.C21H18ClFN2O3S.C21H19ClN2O5S.C21H19ClN2O4S/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;1-2-3-15-4-7-18(8-5-15)31(29,30)27-20-9-6-17(22(23,24)25)14-19(20)21(28)16-10-12-26-13-11-16;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;1-14(2)28-17-4-6-18(7-5-17)29(26,27)24-20-8-3-16(22)13-19(20)21(25)15-9-11-23-12-10-15/h3-14,27H,1-2H3;4-14,27H,2-3H2,1H3;3-13H,1-2H3,(H,24,25);3-14H,1-2H3,(H-,23,25,26);3-14,24H,1-2H3/p+1.
What are the key properties of N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propyl-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide?
N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propyl-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 2224.67 g/mol, XLogP of 23.27, 34 rotatable bonds, 6 hydrogen bond donors, and 23 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-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propyl-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 158218513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).