bis(N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide);N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyrimidine-5-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;methane

C107H113Cl5F3N11O21S8 — CID 158147004

IUPACbis(N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide);N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyrimidine-5-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;methane
SMILESC.C.C.C.C.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccnc(C(F)(F)F)c2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cncnc2)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)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2S(=O)c2ccccc2)cc1
InChIInChI=1S/C22H18ClF3N2O4S.C20H18ClN3O4S.C20H19ClN2O5S2.2C20H19ClN2O4S2.5CH4/c1-13(2)32-16-4-6-17(7-5-16)33(30,31)28-19-8-3-15(23)12-18(19)21(29)14-9-10-27-20(11-14)22(24,25)26;1-13(2)28-16-4-6-17(7-5-16)29(26,27)24-19-8-3-15(21)9-18(19)20(25)14-10-22-12-23-11-14;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;2*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;;;;;/h3-13,28H,1-2H3;3-13,24H,1-2H3;3-14H,1-2H3,(H,22,23);2*3-14H,1-2H3,(H,22,23);5*1H4
InChIKeyFUQHVTZCOMTRMV-UHFFFAOYSA-N
MW2379.93 g/mol
LogP25.84
Rot. Bonds35

About bis(N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide);N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyrimidine-5-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;methane

bis(N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide);N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyrimidine-5-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;methane (PubChem CID 158147004) has the molecular formula C107H113Cl5F3N11O21S8 and a molecular weight of 2379.93 g/mol. Its IUPAC name is bis(N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide);N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyrimidine-5-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;methane.

Molecular Properties

Compound Namebis(N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide);N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyrimidine-5-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;methane
PubChem CID158147004
Molecular FormulaC107H113Cl5F3N11O21S8
Molecular Weight2379.93 g/mol
Exact Mass2375.43
IUPAC Namebis(N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide);N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyrimidine-5-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;methane
SMILESC.C.C.C.C.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccnc(C(F)(F)F)c2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cncnc2)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)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2S(=O)c2ccccc2)cc1
InChIInChI=1S/C22H18ClF3N2O4S.C20H18ClN3O4S.C20H19ClN2O5S2.2C20H19ClN2O4S2.5CH4/c1-13(2)32-16-4-6-17(7-5-16)33(30,31)28-19-8-3-15(23)12-18(19)21(29)14-9-10-27-20(11-14)22(24,25)26;1-13(2)28-16-4-6-17(7-5-16)29(26,27)24-19-8-3-15(21)9-18(19)20(25)14-10-22-12-23-11-14;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;2*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;;;;;/h3-13,28H,1-2H3;3-13,24H,1-2H3;3-14H,1-2H3,(H,22,23);2*3-14H,1-2H3,(H,22,23);5*1H4
InChIKeyFUQHVTZCOMTRMV-UHFFFAOYSA-N
XLogP25.84
TPSA456.76 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds35
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002379.93
LogP ≤ 525.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze bis(N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide);N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyrimidine-5-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;methane with MolForge

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Related Compounds

N-(2-benzoyl-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide;N-(2-benzoyl-4-nitrophenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridazine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyrimidine-5-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[6-(trifluoromethyl)pyridazine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyrimidine-5-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 157324036
N-[4-chloro-2-[6-(trifluoromethyl)pyridazine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyrimidine-5-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 157467726
N-[2-(benzenesulfonyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;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-ethoxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 157715760
N-[2-(benzenesulfinyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridazine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-pyrimidin-5-ylsulfinylphenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[6-(trifluoromethyl)pyridazine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyrimidine-5-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 157879809
N-[4-chloro-2-(pyridazine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyrimidine-5-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide
CID 158119904
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
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
[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
N-[2-(benzenesulfonyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;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 158452762
N-[2-(benzenesulfonyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(1-hydroxypyridin-1-ium-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-(4-chloro-2-phenylsulfanylphenyl)-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
CID 158709284
N-[2-(benzenesulfonyl)-4-chlorophenyl]-4-propan-2-yloxybenzenesulfonamide;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-ethoxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide;4-propan-2-yloxy-N-[2-(pyridine-4-carbonyl)-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 159084701
N-(2-benzoyl-4-nitrophenyl)-4-propan-2-ylbenzenesulfonamide;N-(2-benzoyl-4-nitrophenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyridazine-4-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[6-(trifluoromethyl)pyridazine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyrimidine-5-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;methane
CID 160346426

Frequently Asked Questions

What is the IUPAC name of bis(N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide);N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyrimidine-5-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;methane?
The IUPAC name of bis(N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide);N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyrimidine-5-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;methane (CID 158147004) is bis(N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide);N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyrimidine-5-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;methane.
What is the SMILES notation for bis(N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide);N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyrimidine-5-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;methane?
The canonical SMILES for bis(N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide);N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyrimidine-5-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;methane is C.C.C.C.C.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccnc(C(F)(F)F)c2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cncnc2)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)Oc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2S(=O)c2ccccc2)cc1.
What is the InChIKey of bis(N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide);N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyrimidine-5-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;methane?
The InChIKey is FUQHVTZCOMTRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N2O4S.C20H18ClN3O4S.C20H19ClN2O5S2.2C20H19ClN2O4S2.5CH4/c1-13(2)32-16-4-6-17(7-5-16)33(30,31)28-19-8-3-15(23)12-18(19)21(29)14-9-10-27-20(11-14)22(24,25)26;1-13(2)28-16-4-6-17(7-5-16)29(26,27)24-19-8-3-15(21)9-18(19)20(25)14-10-22-12-23-11-14;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;2*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;;;;;/h3-13,28H,1-2H3;3-13,24H,1-2H3;3-14H,1-2H3,(H,22,23);2*3-14H,1-2H3,(H,22,23);5*1H4.
What are the key properties of bis(N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide);N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyrimidine-5-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;methane?
bis(N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide);N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyrimidine-5-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;methane has a molecular weight of 2379.93 g/mol, XLogP of 25.84, 35 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-[3-(benzenesulfinyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide);N-[3-(benzenesulfonyl)-5-chloro-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(pyrimidine-5-carbonyl)phenyl]-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-[2-(trifluoromethyl)pyridine-4-carbonyl]phenyl]-4-propan-2-yloxybenzenesulfonamide;methane is sourced from PubChem (CID 158147004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).