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

C126H110Cl4F6N16O27S6 — CID 157324036

IUPACN-(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
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccnnc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cnc(C(F)(F)F)nc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cncnc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cnnc(C(F)(F)F)c2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1.CC(C)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O6S.C22H20N2O5S.2C21H17ClF3N3O4S.2C20H18ClN3O4S/c1-15(2)30-18-9-11-19(12-10-18)31(28,29)23-21-13-8-17(24(26)27)14-20(21)22(25)16-6-4-3-5-7-16;1-15(2)16-8-11-19(12-9-16)30(28,29)23-21-13-10-18(24(26)27)14-20(21)22(25)17-6-4-3-5-7-17;1-12(2)32-15-4-6-16(7-5-15)33(30,31)28-18-8-3-14(22)9-17(18)19(29)13-10-26-20(27-11-13)21(23,24)25;1-12(2)32-15-4-6-16(7-5-15)33(30,31)28-18-8-3-14(22)10-17(18)20(29)13-9-19(21(23,24)25)27-26-11-13;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;1-13(2)28-16-4-6-17(7-5-16)29(26,27)24-19-8-3-15(21)11-18(19)20(25)14-9-10-22-23-12-14/h3-15,23H,1-2H3;3-15,23H,1-2H3;2*3-12,28H,1-2H3;2*3-13,24H,1-2H3
InChIKeyCJPVZWWBOOONEM-UHFFFAOYSA-N
MW2728.55 g/mol
LogP27.00
Rot. Bonds43

About 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

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 (PubChem CID 157324036) has the molecular formula C126H110Cl4F6N16O27S6 and a molecular weight of 2728.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID157324036
Molecular FormulaC126H110Cl4F6N16O27S6
Molecular Weight2728.55 g/mol
Exact Mass2724.47
IUPAC NameN-(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
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccnnc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cnc(C(F)(F)F)nc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cncnc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cnnc(C(F)(F)F)c2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1.CC(C)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O6S.C22H20N2O5S.2C21H17ClF3N3O4S.2C20H18ClN3O4S/c1-15(2)30-18-9-11-19(12-10-18)31(28,29)23-21-13-8-17(24(26)27)14-20(21)22(25)16-6-4-3-5-7-16;1-15(2)16-8-11-19(12-9-16)30(28,29)23-21-13-10-18(24(26)27)14-20(21)22(25)17-6-4-3-5-7-17;1-12(2)32-15-4-6-16(7-5-15)33(30,31)28-18-8-3-14(22)9-17(18)19(29)13-10-26-20(27-11-13)21(23,24)25;1-12(2)32-15-4-6-16(7-5-15)33(30,31)28-18-8-3-14(22)10-17(18)20(29)13-9-19(21(23,24)25)27-26-11-13;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;1-13(2)28-16-4-6-17(7-5-16)29(26,27)24-19-8-3-15(21)11-18(19)20(25)14-9-10-22-23-12-14/h3-15,23H,1-2H3;3-15,23H,1-2H3;2*3-12,28H,1-2H3;2*3-13,24H,1-2H3
InChIKeyCJPVZWWBOOONEM-UHFFFAOYSA-N
XLogP27.00
TPSA614.99 Ų
H-Bond Donors6
H-Bond Acceptors35
Rotatable Bonds43
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002728.55
LogP ≤ 527.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccnnc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cnc(C(F)(F)F)nc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cncnc2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cnnc(C(F)(F)F)c2)cc1.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1.CC(C)c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is CJPVZWWBOOONEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O6S.C22H20N2O5S.2C21H17ClF3N3O4S.2C20H18ClN3O4S/c1-15(2)30-18-9-11-19(12-10-18)31(28,29)23-21-13-8-17(24(26)27)14-20(21)22(25)16-6-4-3-5-7-16;1-15(2)16-8-11-19(12-9-16)30(28,29)23-21-13-10-18(24(26)27)14-20(21)22(25)17-6-4-3-5-7-17;1-12(2)32-15-4-6-16(7-5-15)33(30,31)28-18-8-3-14(22)9-17(18)19(29)13-10-26-20(27-11-13)21(23,24)25;1-12(2)32-15-4-6-16(7-5-15)33(30,31)28-18-8-3-14(22)10-17(18)20(29)13-9-19(21(23,24)25)27-26-11-13;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;1-13(2)28-16-4-6-17(7-5-16)29(26,27)24-19-8-3-15(21)11-18(19)20(25)14-9-10-22-23-12-14/h3-15,23H,1-2H3;3-15,23H,1-2H3;2*3-12,28H,1-2H3;2*3-13,24H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2728.55 g/mol, XLogP of 27.00, 43 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157324036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).