1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;8-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one

C98H90Cl2F14N10O20S5 — CID 158139195

About 1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;8-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one

1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;8-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one (PubChem CID 158139195) has the molecular formula C98H90Cl2F14N10O20S5 and a molecular weight of 2225.06 g/mol. Its IUPAC name is 1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;8-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one.

Molecular Properties

• Compound Name: 1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;8-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
• PubChem CID: 158139195
• Molecular Formula: C98H90Cl2F14N10O20S5
• Molecular Weight: 2225.06 g/mol
• Exact Mass: 2222.41
• IUPAC Name: 1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;8-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
• SMILES: Cc1ccc2c(c1)COC(=O)N2C1CCN(S(=O)(=O)c2cc(F)c(Cl)cc2F)CC1.Cc1ccc2c(c1)COC(=O)N2C1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)CC1.Cc1cccc2c1N(C1CCN(S(=O)(=O)c3cc(F)c(F)cc3F)CC1)C(=O)OC2.O=C1OCc2cc(Cl)ccc2N1C1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)CC1.O=C1OCc2ccccc2N1C1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)CC1
• InChI: InChI=1S/C20H19ClF2N2O4S.2C20H19F3N2O4S.C19H16ClF3N2O4S.C19H17F3N2O4S/c2*1-12-2-3-18-13(8-12)11-29-20(26)25(18)14-4-6-24(7-5-14)30(27,28)19-10-16(22)15(21)9-17(19)23;1-12-3-2-4-13-11-29-20(26)25(19(12)13)14-5-7-24(8-6-14)30(27,28)18-10-16(22)15(21)9-17(18)23;20-12-1-2-17-11(7-12)10-29-19(26)25(17)13-3-5-24(6-4-13)30(27,28)18-9-15(22)14(21)8-16(18)23;20-14-9-16(22)18(10-15(14)21)29(26,27)23-7-5-13(6-8-23)24-17-4-2-1-3-12(17)11-28-19(24)25/h2*2-3,8-10,14H,4-7,11H2,1H3;2-4,9-10,14H,5-8,11H2,1H3;1-2,7-9,13H,3-6,10H2;1-4,9-10,13H,5-8,11H2
• InChIKey: FTSQMXONWBIFMM-UHFFFAOYSA-N
• XLogP: 19.16
• TPSA: 334.60 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2225.06
LogP ≤ 5	19.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;8-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one?

The IUPAC name of 1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;8-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one (CID 158139195) is 1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;8-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one.

What is the SMILES notation for 1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;8-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one?

The canonical SMILES for 1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;8-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one is Cc1ccc2c(c1)COC(=O)N2C1CCN(S(=O)(=O)c2cc(F)c(Cl)cc2F)CC1.Cc1ccc2c(c1)COC(=O)N2C1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)CC1.Cc1cccc2c1N(C1CCN(S(=O)(=O)c3cc(F)c(F)cc3F)CC1)C(=O)OC2.O=C1OCc2cc(Cl)ccc2N1C1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)CC1.O=C1OCc2ccccc2N1C1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)CC1.

What is the InChIKey of 1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;8-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one?

The InChIKey is FTSQMXONWBIFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N2O4S.2C20H19F3N2O4S.C19H16ClF3N2O4S.C19H17F3N2O4S/c2*1-12-2-3-18-13(8-12)11-29-20(26)25(18)14-4-6-24(7-5-14)30(27,28)19-10-16(22)15(21)9-17(19)23;1-12-3-2-4-13-11-29-20(26)25(19(12)13)14-5-7-24(8-6-14)30(27,28)18-10-16(22)15(21)9-17(18)23;20-12-1-2-17-11(7-12)10-29-19(26)25(17)13-3-5-24(6-4-13)30(27,28)18-9-15(22)14(21)8-16(18)23;20-14-9-16(22)18(10-15(14)21)29(26,27)23-7-5-13(6-8-23)24-17-4-2-1-3-12(17)11-28-19(24)25/h2*2-3,8-10,14H,4-7,11H2,1H3;2-4,9-10,14H,5-8,11H2,1H3;1-2,7-9,13H,3-6,10H2;1-4,9-10,13H,5-8,11H2.

What are the key properties of 1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;8-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one?

1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;8-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one has a molecular weight of 2225.06 g/mol, XLogP of 19.16, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;8-methyl-1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(2,4,5-trifluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one is sourced from PubChem (CID 158139195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).