N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;methane;methanol

C53H48Cl2F6N6O9S3 — CID 162133175

About N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;methane;methanol

N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;methane;methanol (PubChem CID 162133175) has the molecular formula C53H48Cl2F6N6O9S3 and a molecular weight of 1194.09 g/mol. Its IUPAC name is N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;methane;methanol.

Molecular Properties

• Compound Name: N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;methane;methanol
• PubChem CID: 162133175
• Molecular Formula: C53H48Cl2F6N6O9S3
• Molecular Weight: 1194.09 g/mol
• Exact Mass: 1192.19
• IUPAC Name: N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;methane;methanol
• SMILES: C.CCCS(=O)(=O)N(c1cc(F)c(F)c(C(=O)c2ccc3ncc(-c4ccc(Cl)cc4)nc3c2)c1F)S(=O)(=O)CCC.CCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(-c4ccc(Cl)cc4)nc3c2)c1F.CO
• InChI: InChI=1S/C27H23ClF3N3O5S2.C24H17ClF3N3O3S.CH4O.CH4/c1-3-11-40(36,37)34(41(38,39)12-4-2)23-14-19(29)25(30)24(26(23)31)27(35)17-7-10-20-21(13-17)33-22(15-32-20)16-5-8-18(28)9-6-16;1-2-9-35(33,34)31-19-11-16(26)22(27)21(23(19)28)24(32)14-5-8-17-18(10-14)30-20(12-29-17)13-3-6-15(25)7-4-13;1-2;/h5-10,13-15H,3-4,11-12H2,1-2H3;3-8,10-12,31H,2,9H2,1H3;2H,1H3;1H4
• InChIKey: ZIXVLPVXHARTGS-UHFFFAOYSA-N
• XLogP: 11.88
• TPSA: 223.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1194.09
LogP ≤ 5	11.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;methane;methanol?

The IUPAC name of N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;methane;methanol (CID 162133175) is N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;methane;methanol.

What is the SMILES notation for N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;methane;methanol?

The canonical SMILES for N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;methane;methanol is C.CCCS(=O)(=O)N(c1cc(F)c(F)c(C(=O)c2ccc3ncc(-c4ccc(Cl)cc4)nc3c2)c1F)S(=O)(=O)CCC.CCCS(=O)(=O)Nc1cc(F)c(F)c(C(=O)c2ccc3ncc(-c4ccc(Cl)cc4)nc3c2)c1F.CO.

What is the InChIKey of N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;methane;methanol?

The InChIKey is ZIXVLPVXHARTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClF3N3O5S2.C24H17ClF3N3O3S.CH4O.CH4/c1-3-11-40(36,37)34(41(38,39)12-4-2)23-14-19(29)25(30)24(26(23)31)27(35)17-7-10-20-21(13-17)33-22(15-32-20)16-5-8-18(28)9-6-16;1-2-9-35(33,34)31-19-11-16(26)22(27)21(23(19)28)24(32)14-5-8-17-18(10-14)30-20(12-29-17)13-3-6-15(25)7-4-13;1-2;/h5-10,13-15H,3-4,11-12H2,1-2H3;3-8,10-12,31H,2,9H2,1H3;2H,1H3;1H4.

What are the key properties of N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;methane;methanol?

N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;methane;methanol has a molecular weight of 1194.09 g/mol, XLogP of 11.88, 17 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]propane-1-sulfonamide;N-[3-[3-(4-chlorophenyl)quinoxaline-6-carbonyl]-2,4,5-trifluorophenyl]-N-propylsulfonylpropane-1-sulfonamide;methane;methanol is sourced from PubChem (CID 162133175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).