2,4-difluoro-N-[7-(4-methylpiperazine-1-carbonyl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide;6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxylic acid;methane;1-methylpiperazine

C49H56F4N6O9S2 — CID 157223122

About 2,4-difluoro-N-[7-(4-methylpiperazine-1-carbonyl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide;6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxylic acid;methane;1-methylpiperazine

2,4-difluoro-N-[7-(4-methylpiperazine-1-carbonyl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide;6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxylic acid;methane;1-methylpiperazine (PubChem CID 157223122) has the molecular formula C49H56F4N6O9S2 and a molecular weight of 1013.15 g/mol. Its IUPAC name is 2,4-difluoro-N-[7-(4-methylpiperazine-1-carbonyl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide;6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxylic acid;methane;1-methylpiperazine.

Molecular Properties

• Compound Name: 2,4-difluoro-N-[7-(4-methylpiperazine-1-carbonyl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide;6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxylic acid;methane;1-methylpiperazine
• PubChem CID: 157223122
• Molecular Formula: C49H56F4N6O9S2
• Molecular Weight: 1013.15 g/mol
• Exact Mass: 1012.35
• IUPAC Name: 2,4-difluoro-N-[7-(4-methylpiperazine-1-carbonyl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide;6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxylic acid;methane;1-methylpiperazine
• SMILES: C.CN1CCN(C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3F)cc3c2CC(=O)C32CCC2)CC1.CN1CCNCC1.O=C(O)c1cc(NS(=O)(=O)c2ccc(F)cc2F)cc2c1CC(=O)C21CCC1
• InChI: InChI=1S/C24H25F2N3O4S.C19H15F2NO5S.C5H12N2.CH4/c1-28-7-9-29(10-8-28)23(31)18-12-16(13-19-17(18)14-22(30)24(19)5-2-6-24)27-34(32,33)21-4-3-15(25)11-20(21)26;20-10-2-3-16(15(21)6-10)28(26,27)22-11-7-13(18(24)25)12-9-17(23)19(4-1-5-19)14(12)8-11;1-7-4-2-6-3-5-7;/h3-4,11-13,27H,2,5-10,14H2,1H3;2-3,6-8,22H,1,4-5,9H2,(H,24,25);6H,2-5H2,1H3;1H4
• InChIKey: ATFPUGIKSDMMGH-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 202.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1013.15
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[7-(4-methylpiperazine-1-carbonyl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide;6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxylic acid;methane;1-methylpiperazine?

The IUPAC name of 2,4-difluoro-N-[7-(4-methylpiperazine-1-carbonyl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide;6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxylic acid;methane;1-methylpiperazine (CID 157223122) is 2,4-difluoro-N-[7-(4-methylpiperazine-1-carbonyl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide;6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxylic acid;methane;1-methylpiperazine.

What is the SMILES notation for 2,4-difluoro-N-[7-(4-methylpiperazine-1-carbonyl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide;6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxylic acid;methane;1-methylpiperazine?

The canonical SMILES for 2,4-difluoro-N-[7-(4-methylpiperazine-1-carbonyl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide;6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxylic acid;methane;1-methylpiperazine is C.CN1CCN(C(=O)c2cc(NS(=O)(=O)c3ccc(F)cc3F)cc3c2CC(=O)C32CCC2)CC1.CN1CCNCC1.O=C(O)c1cc(NS(=O)(=O)c2ccc(F)cc2F)cc2c1CC(=O)C21CCC1.

What is the InChIKey of 2,4-difluoro-N-[7-(4-methylpiperazine-1-carbonyl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide;6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxylic acid;methane;1-methylpiperazine?

The InChIKey is ATFPUGIKSDMMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O4S.C19H15F2NO5S.C5H12N2.CH4/c1-28-7-9-29(10-8-28)23(31)18-12-16(13-19-17(18)14-22(30)24(19)5-2-6-24)27-34(32,33)21-4-3-15(25)11-20(21)26;20-10-2-3-16(15(21)6-10)28(26,27)22-11-7-13(18(24)25)12-9-17(23)19(4-1-5-19)14(12)8-11;1-7-4-2-6-3-5-7;/h3-4,11-13,27H,2,5-10,14H2,1H3;2-3,6-8,22H,1,4-5,9H2,(H,24,25);6H,2-5H2,1H3;1H4.

What are the key properties of 2,4-difluoro-N-[7-(4-methylpiperazine-1-carbonyl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide;6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxylic acid;methane;1-methylpiperazine?

2,4-difluoro-N-[7-(4-methylpiperazine-1-carbonyl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide;6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxylic acid;methane;1-methylpiperazine has a molecular weight of 1013.15 g/mol, XLogP of 5.87, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluoro-N-[7-(4-methylpiperazine-1-carbonyl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide;6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-carboxylic acid;methane;1-methylpiperazine is sourced from PubChem (CID 157223122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).