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

C98H93Cl3F10N10O20S5 — CID 160644691

IUPAC1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one
SMILESCc1ccc2c(c1)COC(=O)N2C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.Cc1cccc2c1N(C1CCN(S(=O)(=O)c3cc(F)c(Cl)cc3F)CC1)C(=O)OC2.Cc1cccc2c1N(C1CCN(S(=O)(=O)c3ccc(F)cc3F)CC1)C(=O)OC2.O=C1OCc2cc(Cl)ccc2N1C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.O=C1OCc2ccccc2N1C1CCN(S(=O)(=O)c2cc(F)c(Cl)cc2F)CC1
InChIInChI=1S/C20H19ClF2N2O4S.2C20H20F2N2O4S.2C19H17ClF2N2O4S/c1-12-3-2-4-13-11-29-20(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;1-13-2-4-18-14(10-13)12-28-20(25)24(18)16-6-8-23(9-7-16)29(26,27)19-5-3-15(21)11-17(19)22;1-13-3-2-4-14-12-28-20(25)24(19(13)14)16-7-9-23(10-8-16)29(26,27)18-6-5-15(21)11-17(18)22;20-13-1-3-17-12(9-13)11-28-19(25)24(17)15-5-7-23(8-6-15)29(26,27)18-4-2-14(21)10-16(18)22;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/h2-4,9-10,14H,5-8,11H2,1H3;2-5,10-11,16H,6-9,12H2,1H3;2-6,11,16H,7-10,12H2,1H3;1-4,9-10,15H,5-8,11H2;1-4,9-10,13H,5-8,11H2
InChIKeyRJQBVYJUERWMLY-UHFFFAOYSA-N
MW2187.55 g/mol
LogP19.26
Rot. Bonds15

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

1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one (PubChem CID 160644691) has the molecular formula C98H93Cl3F10N10O20S5 and a molecular weight of 2187.55 g/mol. Its IUPAC name is 1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one
PubChem CID160644691
Molecular FormulaC98H93Cl3F10N10O20S5
Molecular Weight2187.55 g/mol
Exact Mass2184.41
IUPAC Name1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one
SMILESCc1ccc2c(c1)COC(=O)N2C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.Cc1cccc2c1N(C1CCN(S(=O)(=O)c3cc(F)c(Cl)cc3F)CC1)C(=O)OC2.Cc1cccc2c1N(C1CCN(S(=O)(=O)c3ccc(F)cc3F)CC1)C(=O)OC2.O=C1OCc2cc(Cl)ccc2N1C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.O=C1OCc2ccccc2N1C1CCN(S(=O)(=O)c2cc(F)c(Cl)cc2F)CC1
InChIInChI=1S/C20H19ClF2N2O4S.2C20H20F2N2O4S.2C19H17ClF2N2O4S/c1-12-3-2-4-13-11-29-20(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;1-13-2-4-18-14(10-13)12-28-20(25)24(18)16-6-8-23(9-7-16)29(26,27)19-5-3-15(21)11-17(19)22;1-13-3-2-4-14-12-28-20(25)24(19(13)14)16-7-9-23(10-8-16)29(26,27)18-6-5-15(21)11-17(18)22;20-13-1-3-17-12(9-13)11-28-19(25)24(17)15-5-7-23(8-6-15)29(26,27)18-4-2-14(21)10-16(18)22;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/h2-4,9-10,14H,5-8,11H2,1H3;2-5,10-11,16H,6-9,12H2,1H3;2-6,11,16H,7-10,12H2,1H3;1-4,9-10,15H,5-8,11H2;1-4,9-10,13H,5-8,11H2
InChIKeyRJQBVYJUERWMLY-UHFFFAOYSA-N
XLogP19.26
TPSA334.60 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds15
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002187.55
LogP ≤ 519.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one?
The IUPAC name of 1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one (CID 160644691) is 1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one.
What is the SMILES notation for 1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one?
The canonical SMILES for 1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one is Cc1ccc2c(c1)COC(=O)N2C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.Cc1cccc2c1N(C1CCN(S(=O)(=O)c3cc(F)c(Cl)cc3F)CC1)C(=O)OC2.Cc1cccc2c1N(C1CCN(S(=O)(=O)c3ccc(F)cc3F)CC1)C(=O)OC2.O=C1OCc2cc(Cl)ccc2N1C1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.O=C1OCc2ccccc2N1C1CCN(S(=O)(=O)c2cc(F)c(Cl)cc2F)CC1.
What is the InChIKey of 1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one?
The InChIKey is RJQBVYJUERWMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N2O4S.2C20H20F2N2O4S.2C19H17ClF2N2O4S/c1-12-3-2-4-13-11-29-20(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;1-13-2-4-18-14(10-13)12-28-20(25)24(18)16-6-8-23(9-7-16)29(26,27)19-5-3-15(21)11-17(19)22;1-13-3-2-4-14-12-28-20(25)24(19(13)14)16-7-9-23(10-8-16)29(26,27)18-6-5-15(21)11-17(18)22;20-13-1-3-17-12(9-13)11-28-19(25)24(17)15-5-7-23(8-6-15)29(26,27)18-4-2-14(21)10-16(18)22;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/h2-4,9-10,14H,5-8,11H2,1H3;2-5,10-11,16H,6-9,12H2,1H3;2-6,11,16H,7-10,12H2,1H3;1-4,9-10,15H,5-8,11H2;1-4,9-10,13H,5-8,11H2.
What are the key properties of 1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one?
1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one has a molecular weight of 2187.55 g/mol, XLogP of 19.26, 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]-4H-3,1-benzoxazin-2-one;6-chloro-1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one;1-[1-(4-chloro-2,5-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one;1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-8-methyl-4H-3,1-benzoxazin-2-one is sourced from PubChem (CID 160644691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).