(2-chlorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,2-dimethyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;N-ethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;7'-methyl-1-(3-methyl-4-methylsulfonylbenzoyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen

C96H101ClN14O14S3 — CID 160906522

About (2-chlorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,2-dimethyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;N-ethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;7'-methyl-1-(3-methyl-4-methylsulfonylbenzoyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen

(2-chlorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,2-dimethyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;N-ethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;7'-methyl-1-(3-methyl-4-methylsulfonylbenzoyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen (PubChem CID 160906522) has the molecular formula C96H101ClN14O14S3 and a molecular weight of 1806.60 g/mol. Its IUPAC name is (2-chlorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,2-dimethyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;N-ethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;7'-methyl-1-(3-methyl-4-methylsulfonylbenzoyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen.

Molecular Properties

• Compound Name: (2-chlorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,2-dimethyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;N-ethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;7'-methyl-1-(3-methyl-4-methylsulfonylbenzoyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen
• PubChem CID: 160906522
• Molecular Formula: C96H101ClN14O14S3
• Molecular Weight: 1806.60 g/mol
• Exact Mass: 1804.65
• IUPAC Name: (2-chlorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,2-dimethyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;N-ethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;7'-methyl-1-(3-methyl-4-methylsulfonylbenzoyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen
• SMILES: CCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)cc1.CNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2nn(C)cc23)cc1C.Cc1ccc2c(c1)OC1(CCN(C(=O)c3ccc(S(C)(=O)=O)c(C)c3)CC1)c1ccc(C#N)n1-2.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccccc2Cl)CC1.[H][H].[H][H]
• InChI: InChI=1S/C26H25N3O4S.2C24H26N4O4S.C22H20ClN3O2.2H2/c1-17-4-7-21-22(14-17)33-26(24-9-6-20(16-27)29(21)24)10-12-28(13-11-26)25(30)19-5-8-23(18(2)15-19)34(3,31)32;1-16-14-17(8-9-21(16)33(30,31)25-2)23(29)28-12-10-24(11-13-28)19-15-27(3)26-22(19)18-6-4-5-7-20(18)32-24;1-3-26-33(30,31)18-10-8-17(9-11-18)23(29)28-14-12-24(13-15-28)20-16-25-27(2)22(20)19-6-4-5-7-21(19)32-24;1-25-20-16-7-3-5-9-19(16)28-22(17(20)14-24-25)10-12-26(13-11-22)21(27)15-6-2-4-8-18(15)23;;/h4-9,14-15H,10-13H2,1-3H3;4-9,14-15,25H,10-13H2,1-3H3;4-11,16,26H,3,12-15H2,1-2H3;2-9,14H,10-13H2,1H3;2*1H
• InChIKey: SQFFTRQBRBLYOT-UHFFFAOYSA-N
• XLogP: 14.39
• TPSA: 326.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1806.60
LogP ≤ 5	14.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,2-dimethyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;N-ethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;7'-methyl-1-(3-methyl-4-methylsulfonylbenzoyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen?

The IUPAC name of (2-chlorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,2-dimethyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;N-ethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;7'-methyl-1-(3-methyl-4-methylsulfonylbenzoyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen (CID 160906522) is (2-chlorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,2-dimethyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;N-ethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;7'-methyl-1-(3-methyl-4-methylsulfonylbenzoyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen.

What is the SMILES notation for (2-chlorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,2-dimethyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;N-ethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;7'-methyl-1-(3-methyl-4-methylsulfonylbenzoyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen?

The canonical SMILES for (2-chlorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,2-dimethyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;N-ethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;7'-methyl-1-(3-methyl-4-methylsulfonylbenzoyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen is CCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2c3cnn2C)cc1.CNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)Oc2ccccc2-c2nn(C)cc23)cc1C.Cc1ccc2c(c1)OC1(CCN(C(=O)c3ccc(S(C)(=O)=O)c(C)c3)CC1)c1ccc(C#N)n1-2.Cn1ncc2c1-c1ccccc1OC21CCN(C(=O)c2ccccc2Cl)CC1.[H][H].[H][H].

What is the InChIKey of (2-chlorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,2-dimethyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;N-ethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;7'-methyl-1-(3-methyl-4-methylsulfonylbenzoyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen?

The InChIKey is SQFFTRQBRBLYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4S.2C24H26N4O4S.C22H20ClN3O2.2H2/c1-17-4-7-21-22(14-17)33-26(24-9-6-20(16-27)29(21)24)10-12-28(13-11-26)25(30)19-5-8-23(18(2)15-19)34(3,31)32;1-16-14-17(8-9-21(16)33(30,31)25-2)23(29)28-12-10-24(11-13-28)19-15-27(3)26-22(19)18-6-4-5-7-20(18)32-24;1-3-26-33(30,31)18-10-8-17(9-11-18)23(29)28-14-12-24(13-15-28)20-16-25-27(2)22(20)19-6-4-5-7-21(19)32-24;1-25-20-16-7-3-5-9-19(16)28-22(17(20)14-24-25)10-12-26(13-11-22)21(27)15-6-2-4-8-18(15)23;;/h4-9,14-15H,10-13H2,1-3H3;4-9,14-15,25H,10-13H2,1-3H3;4-11,16,26H,3,12-15H2,1-2H3;2-9,14H,10-13H2,1H3;2*1H.

What are the key properties of (2-chlorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,2-dimethyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;N-ethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;7'-methyl-1-(3-methyl-4-methylsulfonylbenzoyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen?

(2-chlorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,2-dimethyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;N-ethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;7'-methyl-1-(3-methyl-4-methylsulfonylbenzoyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen has a molecular weight of 1806.60 g/mol, XLogP of 14.39, 10 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chlorophenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;N,2-dimethyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;N-ethyl-4-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;7'-methyl-1-(3-methyl-4-methylsulfonylbenzoyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen is sourced from PubChem (CID 160906522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).