N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;bis(N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;6-fluoro-7-methoxy-3H-1,3-benzoxazol-2-one;hydrochloride

C90H70BrCl5F16N12O23S4 — CID 160704963

About N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;bis(N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;6-fluoro-7-methoxy-3H-1,3-benzoxazol-2-one;hydrochloride

N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;bis(N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;6-fluoro-7-methoxy-3H-1,3-benzoxazol-2-one;hydrochloride (PubChem CID 160704963) has the molecular formula C90H70BrCl5F16N12O23S4 and a molecular weight of 2377.02 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;bis(N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;6-fluoro-7-methoxy-3H-1,3-benzoxazol-2-one;hydrochloride.

Molecular Properties

• Compound Name: N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;bis(N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;6-fluoro-7-methoxy-3H-1,3-benzoxazol-2-one;hydrochloride
• PubChem CID: 160704963
• Molecular Formula: C90H70BrCl5F16N12O23S4
• Molecular Weight: 2377.02 g/mol
• Exact Mass: 2372.09
• IUPAC Name: N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;bis(N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;6-fluoro-7-methoxy-3H-1,3-benzoxazol-2-one;hydrochloride
• SMILES: COCN(c1cc(Cl)cnc1Br)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.COCN(c1cc(Cl)cnc1C(O)c1c(F)ccc2[nH]c(=O)oc12)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.COCN(c1cc(Cl)cnc1C(O)c1c(F)ccc2[nH]c(=O)oc12)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.COc1c(F)ccc2[nH]c(=O)oc12.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(O)c2c(F)ccc3[nH]c(=O)oc23)cc1C(F)(F)F.Cl
• InChI: InChI=1S/2C23H18ClF4N3O6S.C21H14ClF4N3O5S.C15H13BrClF3N2O3S.C8H6FNO3.ClH/c2*1-11-3-4-13(8-14(11)23(26,27)28)38(34,35)31(10-36-2)17-7-12(24)9-29-19(17)20(32)18-15(25)5-6-16-21(18)37-22(33)30-16;1-9-2-3-11(7-12(9)21(24,25)26)35(32,33)29-15-6-10(22)8-27-17(15)18(30)16-13(23)4-5-14-19(16)34-20(31)28-14;1-9-3-4-11(6-12(9)15(18,19)20)26(23,24)22(8-25-2)13-5-10(17)7-21-14(13)16;1-12-6-4(9)2-3-5-7(6)13-8(11)10-5;/h2*3-9,20,32H,10H2,1-2H3,(H,30,33);2-8,18,29-30H,1H3,(H,28,31);3-7H,8H2,1-2H3;2-3H,1H3,(H,10,11);1H
• InChIKey: XPXPKTHUHTVETL-UHFFFAOYSA-N
• XLogP: 19.87
• TPSA: 491.48 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2377.02
LogP ≤ 5	19.87
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;bis(N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;6-fluoro-7-methoxy-3H-1,3-benzoxazol-2-one;hydrochloride?

The IUPAC name of N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;bis(N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;6-fluoro-7-methoxy-3H-1,3-benzoxazol-2-one;hydrochloride (CID 160704963) is N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;bis(N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;6-fluoro-7-methoxy-3H-1,3-benzoxazol-2-one;hydrochloride.

What is the SMILES notation for N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;bis(N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;6-fluoro-7-methoxy-3H-1,3-benzoxazol-2-one;hydrochloride?

The canonical SMILES for N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;bis(N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;6-fluoro-7-methoxy-3H-1,3-benzoxazol-2-one;hydrochloride is COCN(c1cc(Cl)cnc1Br)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.COCN(c1cc(Cl)cnc1C(O)c1c(F)ccc2[nH]c(=O)oc12)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.COCN(c1cc(Cl)cnc1C(O)c1c(F)ccc2[nH]c(=O)oc12)S(=O)(=O)c1ccc(C)c(C(F)(F)F)c1.COc1c(F)ccc2[nH]c(=O)oc12.Cc1ccc(S(=O)(=O)Nc2cc(Cl)cnc2C(O)c2c(F)ccc3[nH]c(=O)oc23)cc1C(F)(F)F.Cl.

What is the InChIKey of N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;bis(N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;6-fluoro-7-methoxy-3H-1,3-benzoxazol-2-one;hydrochloride?

The InChIKey is XPXPKTHUHTVETL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H18ClF4N3O6S.C21H14ClF4N3O5S.C15H13BrClF3N2O3S.C8H6FNO3.ClH/c2*1-11-3-4-13(8-14(11)23(26,27)28)38(34,35)31(10-36-2)17-7-12(24)9-29-19(17)20(32)18-15(25)5-6-16-21(18)37-22(33)30-16;1-9-2-3-11(7-12(9)21(24,25)26)35(32,33)29-15-6-10(22)8-27-17(15)18(30)16-13(23)4-5-14-19(16)34-20(31)28-14;1-9-3-4-11(6-12(9)15(18,19)20)26(23,24)22(8-25-2)13-5-10(17)7-21-14(13)16;1-12-6-4(9)2-3-5-7(6)13-8(11)10-5;/h2*3-9,20,32H,10H2,1-2H3,(H,30,33);2-8,18,29-30H,1H3,(H,28,31);3-7H,8H2,1-2H3;2-3H,1H3,(H,10,11);1H.

What are the key properties of N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;bis(N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;6-fluoro-7-methoxy-3H-1,3-benzoxazol-2-one;hydrochloride?

N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;bis(N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;6-fluoro-7-methoxy-3H-1,3-benzoxazol-2-one;hydrochloride has a molecular weight of 2377.02 g/mol, XLogP of 19.87, 25 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-bromo-5-chloro-3-pyridinyl)-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide;bis(N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-N-(methoxymethyl)-4-methyl-3-(trifluoromethyl)benzenesulfonamide);N-[5-chloro-2-[(6-fluoro-2-oxo-3H-1,3-benzoxazol-7-yl)-hydroxymethyl]-3-pyridinyl]-4-methyl-3-(trifluoromethyl)benzenesulfonamide;6-fluoro-7-methoxy-3H-1,3-benzoxazol-2-one;hydrochloride is sourced from PubChem (CID 160704963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).