N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[5-chloro-3-(3-fluorophenyl)sulfonyl-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide

C126H114Cl6F2N12O23S9 — CID 158693573

IUPACN-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[5-chloro-3-(3-fluorophenyl)sulfonyl-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2cccc(F)c2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2S(=O)(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2S(=O)c2ccccc2)cc1.CC(C)c1ccc(S(=O)(=O)Nc2ncc(Cl)cc2S(=O)(=O)c2cccc(F)c2)cc1.O=C(c1ccccc1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(C2CC2)cc1.O=C(c1ccccc1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C24H23ClN2O3S.C21H18ClFN2O4S.C21H17ClN2O3S.C20H18ClFN2O4S2.C20H19ClN2O5S2.C20H19ClN2O4S2/c25-20-15-22(23(28)19-9-5-2-6-10-19)24(26-16-20)27-31(29,30)21-13-11-18(12-14-21)17-7-3-1-4-8-17;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;22-17-12-19(20(25)16-4-2-1-3-5-16)21(23-13-17)24-28(26,27)18-10-8-15(9-11-18)14-6-7-14;1-13(2)14-6-8-17(9-7-14)30(27,28)24-20-19(10-15(21)12-23-20)29(25,26)18-5-3-4-16(22)11-18;1-14(2)28-16-8-10-18(11-9-16)30(26,27)23-20-19(12-15(21)13-22-20)29(24,25)17-6-4-3-5-7-17;1-14(2)27-16-8-10-18(11-9-16)29(25,26)23-20-19(12-15(21)13-22-20)28(24)17-6-4-3-5-7-17/h2,5-6,9-17H,1,3-4,7-8H2,(H,26,27);3-13H,1-2H3,(H,24,25);1-5,8-14H,6-7H2,(H,23,24);3-13H,1-2H3,(H,23,24);3-14H,1-2H3,(H,22,23);3-14H,1-2H3,(H,22,23)
InChIKeyIGQQDHWMROKSGY-UHFFFAOYSA-N
MW2703.68 g/mol
LogP28.43
Rot. Bonds39

About N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[5-chloro-3-(3-fluorophenyl)sulfonyl-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide

N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[5-chloro-3-(3-fluorophenyl)sulfonyl-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 158693573) has the molecular formula C126H114Cl6F2N12O23S9 and a molecular weight of 2703.68 g/mol. Its IUPAC name is N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[5-chloro-3-(3-fluorophenyl)sulfonyl-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[5-chloro-3-(3-fluorophenyl)sulfonyl-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
PubChem CID158693573
Molecular FormulaC126H114Cl6F2N12O23S9
Molecular Weight2703.68 g/mol
Exact Mass2698.37
IUPAC NameN-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[5-chloro-3-(3-fluorophenyl)sulfonyl-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2cccc(F)c2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2S(=O)(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2S(=O)c2ccccc2)cc1.CC(C)c1ccc(S(=O)(=O)Nc2ncc(Cl)cc2S(=O)(=O)c2cccc(F)c2)cc1.O=C(c1ccccc1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(C2CC2)cc1.O=C(c1ccccc1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C24H23ClN2O3S.C21H18ClFN2O4S.C21H17ClN2O3S.C20H18ClFN2O4S2.C20H19ClN2O5S2.C20H19ClN2O4S2/c25-20-15-22(23(28)19-9-5-2-6-10-19)24(26-16-20)27-31(29,30)21-13-11-18(12-14-21)17-7-3-1-4-8-17;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;22-17-12-19(20(25)16-4-2-1-3-5-16)21(23-13-17)24-28(26,27)18-10-8-15(9-11-18)14-6-7-14;1-13(2)14-6-8-17(9-7-14)30(27,28)24-20-19(10-15(21)12-23-20)29(25,26)18-5-3-4-16(22)11-18;1-14(2)28-16-8-10-18(11-9-16)30(26,27)23-20-19(12-15(21)13-22-20)29(24,25)17-6-4-3-5-7-17;1-14(2)27-16-8-10-18(11-9-16)29(25,26)23-20-19(12-15(21)13-22-20)28(24)17-6-4-3-5-7-17/h2,5-6,9-17H,1,3-4,7-8H2,(H,26,27);3-13H,1-2H3,(H,24,25);1-5,8-14H,6-7H2,(H,23,24);3-13H,1-2H3,(H,23,24);3-14H,1-2H3,(H,22,23);3-14H,1-2H3,(H,22,23)
InChIKeyIGQQDHWMROKSGY-UHFFFAOYSA-N
XLogP28.43
TPSA518.61 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds39
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002703.68
LogP ≤ 528.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[5-chloro-3-(3-fluorophenyl)sulfonyl-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[5-chloro-3-(3-fluorophenyl)sulfonyl-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[5-chloro-3-(3-fluorophenyl)sulfonyl-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide (CID 158693573) is N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[5-chloro-3-(3-fluorophenyl)sulfonyl-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[5-chloro-3-(3-fluorophenyl)sulfonyl-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[5-chloro-3-(3-fluorophenyl)sulfonyl-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2cccc(F)c2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2S(=O)(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2S(=O)c2ccccc2)cc1.CC(C)c1ccc(S(=O)(=O)Nc2ncc(Cl)cc2S(=O)(=O)c2cccc(F)c2)cc1.O=C(c1ccccc1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(C2CC2)cc1.O=C(c1ccccc1)c1cc(Cl)cnc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[5-chloro-3-(3-fluorophenyl)sulfonyl-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is IGQQDHWMROKSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3S.C21H18ClFN2O4S.C21H17ClN2O3S.C20H18ClFN2O4S2.C20H19ClN2O5S2.C20H19ClN2O4S2/c25-20-15-22(23(28)19-9-5-2-6-10-19)24(26-16-20)27-31(29,30)21-13-11-18(12-14-21)17-7-3-1-4-8-17;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;22-17-12-19(20(25)16-4-2-1-3-5-16)21(23-13-17)24-28(26,27)18-10-8-15(9-11-18)14-6-7-14;1-13(2)14-6-8-17(9-7-14)30(27,28)24-20-19(10-15(21)12-23-20)29(25,26)18-5-3-4-16(22)11-18;1-14(2)28-16-8-10-18(11-9-16)30(26,27)23-20-19(12-15(21)13-22-20)29(24,25)17-6-4-3-5-7-17;1-14(2)27-16-8-10-18(11-9-16)29(25,26)23-20-19(12-15(21)13-22-20)28(24)17-6-4-3-5-7-17/h2,5-6,9-17H,1,3-4,7-8H2,(H,26,27);3-13H,1-2H3,(H,24,25);1-5,8-14H,6-7H2,(H,23,24);3-13H,1-2H3,(H,23,24);3-14H,1-2H3,(H,22,23);3-14H,1-2H3,(H,22,23).
What are the key properties of N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[5-chloro-3-(3-fluorophenyl)sulfonyl-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide?
N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[5-chloro-3-(3-fluorophenyl)sulfonyl-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 2703.68 g/mol, XLogP of 28.43, 39 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclohexylbenzenesulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-4-cyclopropylbenzenesulfonamide;N-[5-chloro-3-(3-fluorobenzoyl)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[5-chloro-3-(3-fluorophenyl)sulfonyl-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 158693573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).