N-(2-benzoyl-4-chlorophenyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(2-benzoylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-pyridin-2-ylsulfanylphenyl)-4-propan-2-ylbenzenesulfonamide;4-propan-2-yloxy-N-[3-(pyridine-4-carbonyl)-4-pyridinyl]benzenesulfonamide

C103H96Cl3N11O18S6 — CID 157488505

IUPACN-(2-benzoyl-4-chlorophenyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(2-benzoylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-pyridin-2-ylsulfanylphenyl)-4-propan-2-ylbenzenesulfonamide;4-propan-2-yloxy-N-[3-(pyridine-4-carbonyl)-4-pyridinyl]benzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cn1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccncc2C(=O)c2ccncc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2ccccc2)cn1.CC(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Sc2ccccn2)cc1
InChIInChI=1S/C22H21NO4S.C21H19ClN2O4S.C20H18ClN3O4S.C20H19ClN2O2S2.C20H19N3O4S/c1-16(2)27-18-12-14-19(15-13-18)28(25,26)23-21-11-7-6-10-20(21)22(24)17-8-4-3-5-9-17;1-14(2)28-20-11-9-17(13-23-20)29(26,27)24-19-10-8-16(22)12-18(19)21(25)15-6-4-3-5-7-15;1-13(2)28-18-9-8-16(12-22-18)29(26,27)24-20-17(10-15(21)11-23-20)19(25)14-6-4-3-5-7-14;1-14(2)15-6-9-17(10-7-15)27(24,25)23-18-11-8-16(21)13-19(18)26-20-5-3-4-12-22-20;1-14(2)27-16-3-5-17(6-4-16)28(25,26)23-19-9-12-22-13-18(19)20(24)15-7-10-21-11-8-15/h3-16,23H,1-2H3;3-14,24H,1-2H3;3-13H,1-2H3,(H,23,24);3-14,23H,1-2H3;3-14H,1-2H3,(H,22,23)
InChIKeyBWZNBPVMYOKKRV-UHFFFAOYSA-N
MW2074.72 g/mol
LogP22.11
Rot. Bonds34

About N-(2-benzoyl-4-chlorophenyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(2-benzoylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-pyridin-2-ylsulfanylphenyl)-4-propan-2-ylbenzenesulfonamide;4-propan-2-yloxy-N-[3-(pyridine-4-carbonyl)-4-pyridinyl]benzenesulfonamide

N-(2-benzoyl-4-chlorophenyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(2-benzoylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-pyridin-2-ylsulfanylphenyl)-4-propan-2-ylbenzenesulfonamide;4-propan-2-yloxy-N-[3-(pyridine-4-carbonyl)-4-pyridinyl]benzenesulfonamide (PubChem CID 157488505) has the molecular formula C103H96Cl3N11O18S6 and a molecular weight of 2074.72 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(2-benzoylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-pyridin-2-ylsulfanylphenyl)-4-propan-2-ylbenzenesulfonamide;4-propan-2-yloxy-N-[3-(pyridine-4-carbonyl)-4-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(2-benzoylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-pyridin-2-ylsulfanylphenyl)-4-propan-2-ylbenzenesulfonamide;4-propan-2-yloxy-N-[3-(pyridine-4-carbonyl)-4-pyridinyl]benzenesulfonamide
PubChem CID157488505
Molecular FormulaC103H96Cl3N11O18S6
Molecular Weight2074.72 g/mol
Exact Mass2071.43
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(2-benzoylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-pyridin-2-ylsulfanylphenyl)-4-propan-2-ylbenzenesulfonamide;4-propan-2-yloxy-N-[3-(pyridine-4-carbonyl)-4-pyridinyl]benzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cn1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccncc2C(=O)c2ccncc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2ccccc2)cn1.CC(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Sc2ccccn2)cc1
InChIInChI=1S/C22H21NO4S.C21H19ClN2O4S.C20H18ClN3O4S.C20H19ClN2O2S2.C20H19N3O4S/c1-16(2)27-18-12-14-19(15-13-18)28(25,26)23-21-11-7-6-10-20(21)22(24)17-8-4-3-5-9-17;1-14(2)28-20-11-9-17(13-23-20)29(26,27)24-19-10-8-16(22)12-18(19)21(25)15-6-4-3-5-7-15;1-13(2)28-18-9-8-16(12-22-18)29(26,27)24-20-17(10-15(21)11-23-20)19(25)14-6-4-3-5-7-14;1-14(2)15-6-9-17(10-7-15)27(24,25)23-18-11-8-16(21)13-19(18)26-20-5-3-4-12-22-20;1-14(2)27-16-3-5-17(6-4-16)28(25,26)23-19-9-12-22-13-18(19)20(24)15-7-10-21-11-8-15/h3-16,23H,1-2H3;3-14,24H,1-2H3;3-13H,1-2H3,(H,23,24);3-14,23H,1-2H3;3-14H,1-2H3,(H,22,23)
InChIKeyBWZNBPVMYOKKRV-UHFFFAOYSA-N
XLogP22.11
TPSA413.39 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds34
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002074.72
LogP ≤ 522.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze N-(2-benzoyl-4-chlorophenyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(2-benzoylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-pyridin-2-ylsulfanylphenyl)-4-propan-2-ylbenzenesulfonamide;4-propan-2-yloxy-N-[3-(pyridine-4-carbonyl)-4-pyridinyl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(2-benzoylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-pyridin-2-ylsulfanylphenyl)-4-propan-2-ylbenzenesulfonamide;4-propan-2-yloxy-N-[3-(pyridine-4-carbonyl)-4-pyridinyl]benzenesulfonamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(2-benzoylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-pyridin-2-ylsulfanylphenyl)-4-propan-2-ylbenzenesulfonamide;4-propan-2-yloxy-N-[3-(pyridine-4-carbonyl)-4-pyridinyl]benzenesulfonamide (CID 157488505) is N-(2-benzoyl-4-chlorophenyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(2-benzoylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-pyridin-2-ylsulfanylphenyl)-4-propan-2-ylbenzenesulfonamide;4-propan-2-yloxy-N-[3-(pyridine-4-carbonyl)-4-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(2-benzoylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-pyridin-2-ylsulfanylphenyl)-4-propan-2-ylbenzenesulfonamide;4-propan-2-yloxy-N-[3-(pyridine-4-carbonyl)-4-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(2-benzoylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-pyridin-2-ylsulfanylphenyl)-4-propan-2-ylbenzenesulfonamide;4-propan-2-yloxy-N-[3-(pyridine-4-carbonyl)-4-pyridinyl]benzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cn1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccncc2C(=O)c2ccncc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C(=O)c2ccccc2)cn1.CC(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Sc2ccccn2)cc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(2-benzoylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-pyridin-2-ylsulfanylphenyl)-4-propan-2-ylbenzenesulfonamide;4-propan-2-yloxy-N-[3-(pyridine-4-carbonyl)-4-pyridinyl]benzenesulfonamide?
The InChIKey is BWZNBPVMYOKKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4S.C21H19ClN2O4S.C20H18ClN3O4S.C20H19ClN2O2S2.C20H19N3O4S/c1-16(2)27-18-12-14-19(15-13-18)28(25,26)23-21-11-7-6-10-20(21)22(24)17-8-4-3-5-9-17;1-14(2)28-20-11-9-17(13-23-20)29(26,27)24-19-10-8-16(22)12-18(19)21(25)15-6-4-3-5-7-15;1-13(2)28-18-9-8-16(12-22-18)29(26,27)24-20-17(10-15(21)11-23-20)19(25)14-6-4-3-5-7-14;1-14(2)15-6-9-17(10-7-15)27(24,25)23-18-11-8-16(21)13-19(18)26-20-5-3-4-12-22-20;1-14(2)27-16-3-5-17(6-4-16)28(25,26)23-19-9-12-22-13-18(19)20(24)15-7-10-21-11-8-15/h3-16,23H,1-2H3;3-14,24H,1-2H3;3-13H,1-2H3,(H,23,24);3-14,23H,1-2H3;3-14H,1-2H3,(H,22,23).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(2-benzoylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-pyridin-2-ylsulfanylphenyl)-4-propan-2-ylbenzenesulfonamide;4-propan-2-yloxy-N-[3-(pyridine-4-carbonyl)-4-pyridinyl]benzenesulfonamide?
N-(2-benzoyl-4-chlorophenyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(2-benzoylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-pyridin-2-ylsulfanylphenyl)-4-propan-2-ylbenzenesulfonamide;4-propan-2-yloxy-N-[3-(pyridine-4-carbonyl)-4-pyridinyl]benzenesulfonamide has a molecular weight of 2074.72 g/mol, XLogP of 22.11, 34 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(3-benzoyl-5-chloro-2-pyridinyl)-6-propan-2-yloxypyridine-3-sulfonamide;N-(2-benzoylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-pyridin-2-ylsulfanylphenyl)-4-propan-2-ylbenzenesulfonamide;4-propan-2-yloxy-N-[3-(pyridine-4-carbonyl)-4-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 157488505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).