N-(2-benzoyl-4-chlorophenyl)-5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide;N-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-ethylbenzenesulfonamide;N-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide;methane

C109H97Cl5F3IN8O16S6 — CID 157175139

About N-(2-benzoyl-4-chlorophenyl)-5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide;N-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-ethylbenzenesulfonamide;N-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide;methane

N-(2-benzoyl-4-chlorophenyl)-5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide;N-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-ethylbenzenesulfonamide;N-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide;methane (PubChem CID 157175139) has the molecular formula C109H97Cl5F3IN8O16S6 and a molecular weight of 2328.58 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide;N-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-ethylbenzenesulfonamide;N-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide;methane.

Molecular Properties

• Compound Name: N-(2-benzoyl-4-chlorophenyl)-5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide;N-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-ethylbenzenesulfonamide;N-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide;methane
• PubChem CID: 157175139
• Molecular Formula: C109H97Cl5F3IN8O16S6
• Molecular Weight: 2328.58 g/mol
• Exact Mass: 2324.28
• IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide;N-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-ethylbenzenesulfonamide;N-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide;methane
• SMILES: C.C.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(I)cc2C(=O)c2ccccc2)cc1.CCNc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1.CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cccc(Cl)c2)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cccc(F)c2)cc1.Cn1nc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)s2)cc1C(C)(F)F
• InChI: InChI=1S/C23H18ClF2N3O3S2.C22H20INO4S.C21H17Cl2NO3S.C21H19ClN2O3S.C20H15ClFNO3S.2CH4/c1-23(25,26)20-13-18(27-29(20)2)19-10-11-21(33-19)34(31,32)28-17-9-8-15(24)12-16(17)22(30)14-6-4-3-5-7-14;1-15(2)28-18-9-11-19(12-10-18)29(26,27)24-21-13-8-17(23)14-20(21)22(25)16-6-4-3-5-7-16;1-2-14-6-9-18(10-7-14)28(26,27)24-20-11-8-17(23)13-19(20)21(25)15-4-3-5-16(22)12-15;1-2-23-17-9-11-18(12-10-17)28(26,27)24-20-13-8-16(22)14-19(20)21(25)15-6-4-3-5-7-15;1-13-5-8-17(9-6-13)27(25,26)23-19-10-7-15(21)12-18(19)20(24)14-3-2-4-16(22)11-14;;/h3-13,28H,1-2H3;3-15,24H,1-2H3;3-13,24H,2H2,1H3;3-14,23-24H,2H2,1H3;2-12,23H,1H3;2*1H4
• InChIKey: ANXNWZIBDHRIGO-UHFFFAOYSA-N
• XLogP: 27.54
• TPSA: 355.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 32
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2328.58
LogP ≤ 5	27.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide;N-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-ethylbenzenesulfonamide;N-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide;methane?

The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide;N-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-ethylbenzenesulfonamide;N-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide;methane (CID 157175139) is N-(2-benzoyl-4-chlorophenyl)-5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide;N-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-ethylbenzenesulfonamide;N-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide;methane.

What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide;N-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-ethylbenzenesulfonamide;N-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide;methane?

The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide;N-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-ethylbenzenesulfonamide;N-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide;methane is C.C.CC(C)Oc1ccc(S(=O)(=O)Nc2ccc(I)cc2C(=O)c2ccccc2)cc1.CCNc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1.CCc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cccc(Cl)c2)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cccc(F)c2)cc1.Cn1nc(-c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)s2)cc1C(C)(F)F.

What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide;N-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-ethylbenzenesulfonamide;N-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide;methane?

The InChIKey is ANXNWZIBDHRIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N3O3S2.C22H20INO4S.C21H17Cl2NO3S.C21H19ClN2O3S.C20H15ClFNO3S.2CH4/c1-23(25,26)20-13-18(27-29(20)2)19-10-11-21(33-19)34(31,32)28-17-9-8-15(24)12-16(17)22(30)14-6-4-3-5-7-14;1-15(2)28-18-9-11-19(12-10-18)29(26,27)24-21-13-8-17(23)14-20(21)22(25)16-6-4-3-5-7-16;1-2-14-6-9-18(10-7-14)28(26,27)24-20-11-8-17(23)13-19(20)21(25)15-4-3-5-16(22)12-15;1-2-23-17-9-11-18(12-10-17)28(26,27)24-20-13-8-16(22)14-19(20)21(25)15-6-4-3-5-7-15;1-13-5-8-17(9-6-13)27(25,26)23-19-10-7-15(21)12-18(19)20(24)14-3-2-4-16(22)11-14;;/h3-13,28H,1-2H3;3-15,24H,1-2H3;3-13,24H,2H2,1H3;3-14,23-24H,2H2,1H3;2-12,23H,1H3;2*1H4.

What are the key properties of N-(2-benzoyl-4-chlorophenyl)-5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide;N-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-ethylbenzenesulfonamide;N-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide;methane?

N-(2-benzoyl-4-chlorophenyl)-5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide;N-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-ethylbenzenesulfonamide;N-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide;methane has a molecular weight of 2328.58 g/mol, XLogP of 27.54, 32 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-benzoyl-4-chlorophenyl)-5-[5-(1,1-difluoroethyl)-1-methylpyrazol-3-yl]thiophene-2-sulfonamide;N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide;N-(2-benzoyl-4-iodophenyl)-4-propan-2-yloxybenzenesulfonamide;N-[4-chloro-2-(3-chlorobenzoyl)phenyl]-4-ethylbenzenesulfonamide;N-[4-chloro-2-(3-fluorobenzoyl)phenyl]-4-methylbenzenesulfonamide;methane is sourced from PubChem (CID 157175139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).