2,4-difluoro-N-[7-(1H-indazol-6-yl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide

C25H19F2N3O3S — CID 147757056

IUPAC2,4-difluoro-N-[7-(1H-indazol-6-yl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide
SMILESO=C1Cc2c(-c3ccc4cn[nH]c4c3)cc(NS(=O)(=O)c3ccc(F)cc3F)cc2C12CCC2
InChIInChI=1S/C25H19F2N3O3S/c26-16-4-5-23(21(27)9-16)34(32,33)30-17-10-18(14-2-3-15-13-28-29-22(15)8-14)19-12-24(31)25(6-1-7-25)20(19)11-17/h2-5,8-11,13,30H,1,6-7,12H2,(H,28,29)
InChIKeyHDIDREQOHWBCDA-UHFFFAOYSA-N
MW479.51 g/mol
LogP4.86
Rot. Bonds4

About 2,4-difluoro-N-[7-(1H-indazol-6-yl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide

2,4-difluoro-N-[7-(1H-indazol-6-yl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide (PubChem CID 147757056) has the molecular formula C25H19F2N3O3S and a molecular weight of 479.51 g/mol. Its IUPAC name is 2,4-difluoro-N-[7-(1H-indazol-6-yl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[7-(1H-indazol-6-yl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide
PubChem CID147757056
Molecular FormulaC25H19F2N3O3S
Molecular Weight479.51 g/mol
Exact Mass479.11
IUPAC Name2,4-difluoro-N-[7-(1H-indazol-6-yl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide
SMILESO=C1Cc2c(-c3ccc4cn[nH]c4c3)cc(NS(=O)(=O)c3ccc(F)cc3F)cc2C12CCC2
InChIInChI=1S/C25H19F2N3O3S/c26-16-4-5-23(21(27)9-16)34(32,33)30-17-10-18(14-2-3-15-13-28-29-22(15)8-14)19-12-24(31)25(6-1-7-25)20(19)11-17/h2-5,8-11,13,30H,1,6-7,12H2,(H,28,29)
InChIKeyHDIDREQOHWBCDA-UHFFFAOYSA-N
XLogP4.86
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[7-(1H-indazol-6-yl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[7-(1H-indazol-6-yl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide (CID 147757056) is 2,4-difluoro-N-[7-(1H-indazol-6-yl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[7-(1H-indazol-6-yl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[7-(1H-indazol-6-yl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide is O=C1Cc2c(-c3ccc4cn[nH]c4c3)cc(NS(=O)(=O)c3ccc(F)cc3F)cc2C12CCC2.
What is the InChIKey of 2,4-difluoro-N-[7-(1H-indazol-6-yl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide?
The InChIKey is HDIDREQOHWBCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N3O3S/c26-16-4-5-23(21(27)9-16)34(32,33)30-17-10-18(14-2-3-15-13-28-29-22(15)8-14)19-12-24(31)25(6-1-7-25)20(19)11-17/h2-5,8-11,13,30H,1,6-7,12H2,(H,28,29).
What are the key properties of 2,4-difluoro-N-[7-(1H-indazol-6-yl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide?
2,4-difluoro-N-[7-(1H-indazol-6-yl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide has a molecular weight of 479.51 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[7-(1H-indazol-6-yl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide is sourced from PubChem (CID 147757056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).