6-chloro-1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one

C108H122Cl4N10O21S5 — CID 158798888

About 6-chloro-1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one

6-chloro-1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one (PubChem CID 158798888) has the molecular formula C108H122Cl4N10O21S5 and a molecular weight of 2198.36 g/mol. Its IUPAC name is 6-chloro-1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one.

Molecular Properties

• Compound Name: 6-chloro-1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
• PubChem CID: 158798888
• Molecular Formula: C108H122Cl4N10O21S5
• Molecular Weight: 2198.36 g/mol
• Exact Mass: 2194.61
• IUPAC Name: 6-chloro-1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
• SMILES: CC(C)c1ccc(S(=O)(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1.COc1ccc(S(=O)(=O)N2CCC(N3C(=O)OCc4cc(C)ccc43)CC2)cc1.Cc1cc(S(=O)(=O)N2CCC(N3C(=O)OCc4cc(Cl)ccc43)CC2)c(C)cc1Cl.Cc1cc(S(=O)(=O)N2CCC(N3C(=O)OCc4cccc(C)c43)CC2)c(C)cc1Cl.Cc1ccc2c(c1)COC(=O)N2C1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2C)CC1
• InChI: InChI=1S/2C22H25ClN2O4S.C22H26N2O4S.C21H22Cl2N2O4S.C21H24N2O5S/c1-14-4-5-20-17(10-14)13-29-22(26)25(20)18-6-8-24(9-7-18)30(27,28)21-12-15(2)19(23)11-16(21)3;1-14-5-4-6-17-13-29-22(26)25(21(14)17)18-7-9-24(10-8-18)30(27,28)20-12-15(2)19(23)11-16(20)3;1-16(2)17-7-9-20(10-8-17)29(26,27)23-13-11-19(12-14-23)24-21-6-4-3-5-18(21)15-28-22(24)25;1-13-10-20(14(2)9-18(13)23)30(27,28)24-7-5-17(6-8-24)25-19-4-3-16(22)11-15(19)12-29-21(25)26;1-15-3-8-20-16(13-15)14-28-21(24)23(20)17-9-11-22(12-10-17)29(25,26)19-6-4-18(27-2)5-7-19/h4-5,10-12,18H,6-9,13H2,1-3H3;4-6,11-12,18H,7-10,13H2,1-3H3;3-10,16,19H,11-15H2,1-2H3;3-4,9-11,17H,5-8,12H2,1-2H3;3-8,13,17H,9-12,14H2,1-2H3
• InChIKey: ITFLEVUBDCXKAS-UHFFFAOYSA-N
• XLogP: 21.50
• TPSA: 343.83 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2198.36
LogP ≤ 5	21.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-chloro-1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one (CID 158798888) is 6-chloro-1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one.

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

The canonical SMILES for 6-chloro-1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one is CC(C)c1ccc(S(=O)(=O)N2CCC(N3C(=O)OCc4ccccc43)CC2)cc1.COc1ccc(S(=O)(=O)N2CCC(N3C(=O)OCc4cc(C)ccc43)CC2)cc1.Cc1cc(S(=O)(=O)N2CCC(N3C(=O)OCc4cc(Cl)ccc43)CC2)c(C)cc1Cl.Cc1cc(S(=O)(=O)N2CCC(N3C(=O)OCc4cccc(C)c43)CC2)c(C)cc1Cl.Cc1ccc2c(c1)COC(=O)N2C1CCN(S(=O)(=O)c2cc(C)c(Cl)cc2C)CC1.

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

The InChIKey is ITFLEVUBDCXKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H25ClN2O4S.C22H26N2O4S.C21H22Cl2N2O4S.C21H24N2O5S/c1-14-4-5-20-17(10-14)13-29-22(26)25(20)18-6-8-24(9-7-18)30(27,28)21-12-15(2)19(23)11-16(21)3;1-14-5-4-6-17-13-29-22(26)25(21(14)17)18-7-9-24(10-8-18)30(27,28)20-12-15(2)19(23)11-16(20)3;1-16(2)17-7-9-20(10-8-17)29(26,27)23-13-11-19(12-14-23)24-21-6-4-3-5-18(21)15-28-22(24)25;1-13-10-20(14(2)9-18(13)23)30(27,28)24-7-5-17(6-8-24)25-19-4-3-16(22)11-15(19)12-29-21(25)26;1-15-3-8-20-16(13-15)14-28-21(24)23(20)17-9-11-22(12-10-17)29(25,26)19-6-4-18(27-2)5-7-19/h4-5,10-12,18H,6-9,13H2,1-3H3;4-6,11-12,18H,7-10,13H2,1-3H3;3-10,16,19H,11-15H2,1-2H3;3-4,9-11,17H,5-8,12H2,1-2H3;3-8,13,17H,9-12,14H2,1-2H3.

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

6-chloro-1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one has a molecular weight of 2198.36 g/mol, XLogP of 21.50, 17 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-dimethylphenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one is sourced from PubChem (CID 158798888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).