N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-5-methylpyridine-2-sulfonamide;2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide;methane

C37H30Cl4F3N5O6S2 — CID 162078078

About N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-5-methylpyridine-2-sulfonamide;2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide;methane

N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-5-methylpyridine-2-sulfonamide;2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide;methane (PubChem CID 162078078) has the molecular formula C37H30Cl4F3N5O6S2 and a molecular weight of 903.62 g/mol. Its IUPAC name is N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-5-methylpyridine-2-sulfonamide;2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide;methane.

Molecular Properties

• Compound Name: N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-5-methylpyridine-2-sulfonamide;2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide;methane
• PubChem CID: 162078078
• Molecular Formula: C37H30Cl4F3N5O6S2
• Molecular Weight: 903.62 g/mol
• Exact Mass: 901.03
• IUPAC Name: N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-5-methylpyridine-2-sulfonamide;2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide;methane
• SMILES: C.Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cncc(Cl)c3)c(C)c2)nc1.O=S(=O)(Nc1ccc(Oc2cncc(Cl)c2)c(C(F)(F)F)c1)c1ccc(Cl)cc1Cl
• InChI: InChI=1S/C18H10Cl3F3N2O3S.C18H16ClN3O3S.CH4/c19-10-1-4-17(15(21)6-10)30(27,28)26-12-2-3-16(14(7-12)18(22,23)24)29-13-5-11(20)8-25-9-13;1-12-3-6-18(21-9-12)26(23,24)22-15-4-5-17(13(2)7-15)25-16-8-14(19)10-20-11-16;/h1-9,26H;3-11,22H,1-2H3;1H4
• InChIKey: ZBYWYULMHVFIMV-UHFFFAOYSA-N
• XLogP: 11.63
• TPSA: 149.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	903.62
LogP ≤ 5	11.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-5-methylpyridine-2-sulfonamide;2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide;methane?

The IUPAC name of N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-5-methylpyridine-2-sulfonamide;2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide;methane (CID 162078078) is N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-5-methylpyridine-2-sulfonamide;2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide;methane.

What is the SMILES notation for N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-5-methylpyridine-2-sulfonamide;2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide;methane?

The canonical SMILES for N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-5-methylpyridine-2-sulfonamide;2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide;methane is C.Cc1ccc(S(=O)(=O)Nc2ccc(Oc3cncc(Cl)c3)c(C)c2)nc1.O=S(=O)(Nc1ccc(Oc2cncc(Cl)c2)c(C(F)(F)F)c1)c1ccc(Cl)cc1Cl.

What is the InChIKey of N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-5-methylpyridine-2-sulfonamide;2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide;methane?

The InChIKey is ZBYWYULMHVFIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl3F3N2O3S.C18H16ClN3O3S.CH4/c19-10-1-4-17(15(21)6-10)30(27,28)26-12-2-3-16(14(7-12)18(22,23)24)29-13-5-11(20)8-25-9-13;1-12-3-6-18(21-9-12)26(23,24)22-15-4-5-17(13(2)7-15)25-16-8-14(19)10-20-11-16;/h1-9,26H;3-11,22H,1-2H3;1H4.

What are the key properties of N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-5-methylpyridine-2-sulfonamide;2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide;methane?

N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-5-methylpyridine-2-sulfonamide;2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide;methane has a molecular weight of 903.62 g/mol, XLogP of 11.63, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-5-methylpyridine-2-sulfonamide;2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide;methane is sourced from PubChem (CID 162078078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).