5-[(2,4-difluorophenyl)sulfonylamino]-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxamide

C23H23F2N3O5S — CID 135184800

IUPAC5-[(2,4-difluorophenyl)sulfonylamino]-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxamide
SMILESO=C(NC1CCOCC1)c1cc(NS(=O)(=O)c2ccc(F)cc2F)cc2c1NC(=O)C21CCC1
InChIInChI=1S/C23H23F2N3O5S/c24-13-2-3-19(18(25)10-13)34(31,32)28-15-11-16(21(29)26-14-4-8-33-9-5-14)20-17(12-15)23(6-1-7-23)22(30)27-20/h2-3,10-12,14,28H,1,4-9H2,(H,26,29)(H,27,30)
InChIKeyOSCIDUATNQUDTH-UHFFFAOYSA-N
MW491.52 g/mol
LogP3.05
Rot. Bonds5

About 5-[(2,4-difluorophenyl)sulfonylamino]-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxamide

5-[(2,4-difluorophenyl)sulfonylamino]-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxamide (PubChem CID 135184800) has the molecular formula C23H23F2N3O5S and a molecular weight of 491.52 g/mol. Its IUPAC name is 5-[(2,4-difluorophenyl)sulfonylamino]-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxamide.

Molecular Properties

Compound Name5-[(2,4-difluorophenyl)sulfonylamino]-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxamide
PubChem CID135184800
Molecular FormulaC23H23F2N3O5S
Molecular Weight491.52 g/mol
Exact Mass491.13
IUPAC Name5-[(2,4-difluorophenyl)sulfonylamino]-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxamide
SMILESO=C(NC1CCOCC1)c1cc(NS(=O)(=O)c2ccc(F)cc2F)cc2c1NC(=O)C21CCC1
InChIInChI=1S/C23H23F2N3O5S/c24-13-2-3-19(18(25)10-13)34(31,32)28-15-11-16(21(29)26-14-4-8-33-9-5-14)20-17(12-15)23(6-1-7-23)22(30)27-20/h2-3,10-12,14,28H,1,4-9H2,(H,26,29)(H,27,30)
InChIKeyOSCIDUATNQUDTH-UHFFFAOYSA-N
XLogP3.05
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.52
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenyl)sulfonylamino]-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxamide?
The IUPAC name of 5-[(2,4-difluorophenyl)sulfonylamino]-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxamide (CID 135184800) is 5-[(2,4-difluorophenyl)sulfonylamino]-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxamide.
What is the SMILES notation for 5-[(2,4-difluorophenyl)sulfonylamino]-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxamide?
The canonical SMILES for 5-[(2,4-difluorophenyl)sulfonylamino]-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxamide is O=C(NC1CCOCC1)c1cc(NS(=O)(=O)c2ccc(F)cc2F)cc2c1NC(=O)C21CCC1.
What is the InChIKey of 5-[(2,4-difluorophenyl)sulfonylamino]-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxamide?
The InChIKey is OSCIDUATNQUDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O5S/c24-13-2-3-19(18(25)10-13)34(31,32)28-15-11-16(21(29)26-14-4-8-33-9-5-14)20-17(12-15)23(6-1-7-23)22(30)27-20/h2-3,10-12,14,28H,1,4-9H2,(H,26,29)(H,27,30).
What are the key properties of 5-[(2,4-difluorophenyl)sulfonylamino]-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxamide?
5-[(2,4-difluorophenyl)sulfonylamino]-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxamide has a molecular weight of 491.52 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenyl)sulfonylamino]-N-(oxan-4-yl)-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-carboxamide is sourced from PubChem (CID 135184800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).