N-(7-benzyl-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl)-4-fluoro-2-methoxybenzenesulfonamide

C26H24FNO4S — CID 160623115

IUPACN-(7-benzyl-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl)-4-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1cc(F)ccc1S(=O)(=O)Nc1cc(Cc2ccccc2)c2c(c1)C1(CCC1)C(=O)C2
InChIInChI=1S/C26H24FNO4S/c1-32-23-14-19(27)8-9-24(23)33(30,31)28-20-13-18(12-17-6-3-2-4-7-17)21-16-25(29)26(10-5-11-26)22(21)15-20/h2-4,6-9,13-15,28H,5,10-12,16H2,1H3
InChIKeyKVUZFKCYIYNONL-UHFFFAOYSA-N
MW465.55 g/mol
LogP4.77
Rot. Bonds6

About N-(7-benzyl-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl)-4-fluoro-2-methoxybenzenesulfonamide

N-(7-benzyl-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl)-4-fluoro-2-methoxybenzenesulfonamide (PubChem CID 160623115) has the molecular formula C26H24FNO4S and a molecular weight of 465.55 g/mol. Its IUPAC name is N-(7-benzyl-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl)-4-fluoro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(7-benzyl-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl)-4-fluoro-2-methoxybenzenesulfonamide
PubChem CID160623115
Molecular FormulaC26H24FNO4S
Molecular Weight465.55 g/mol
Exact Mass465.14
IUPAC NameN-(7-benzyl-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl)-4-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1cc(F)ccc1S(=O)(=O)Nc1cc(Cc2ccccc2)c2c(c1)C1(CCC1)C(=O)C2
InChIInChI=1S/C26H24FNO4S/c1-32-23-14-19(27)8-9-24(23)33(30,31)28-20-13-18(12-17-6-3-2-4-7-17)21-16-25(29)26(10-5-11-26)22(21)15-20/h2-4,6-9,13-15,28H,5,10-12,16H2,1H3
InChIKeyKVUZFKCYIYNONL-UHFFFAOYSA-N
XLogP4.77
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[7-[(2-fluorophenyl)methyl]-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-4-methoxybenzenesulfonamide
CID 158773527
2-methoxy-N-[2-oxo-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide
CID 160772668
2-methoxy-N-(2-oxo-7-piperidin-4-yloxyspiro[1H-indene-3,1'-cyclobutane]-5-yl)benzenesulfonamide
CID 147851269
2-benzyl-N-(3,4-dimethoxyphenyl)-4-fluorobenzenesulfonamide
CID 70117489
2-methoxy-N-[2-oxo-7-(1-pyridin-2-ylethyl)spiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide
CID 160873258
2-methoxy-N-[7-(1-methylazepan-4-yl)oxy-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide
CID 148996778
4-chloro-2-fluoro-N-[7-[(5-fluoro-2-pyridinyl)methoxy]-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide
CID 161126175
N-[6-[(2,4-difluorophenyl)sulfonylamino]-2-oxospiro[3H-indene-1,1'-cyclobutane]-4-yl]-1-methylpiperidine-4-carboxamide
CID 162204239
N-[7'-(1-acetylpiperidin-4-yl)oxy-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclobutane-1,3'-indole]-5'-yl]-2-methoxybenzenesulfonamide;N-[7-(1-acetylpiperidin-4-yl)oxy-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]-2-methoxybenzenesulfonamide;2-methoxy-N-[1'-[(4-methoxyphenyl)methyl]-2'-oxo-7'-piperidin-4-yloxyspiro[cyclobutane-1,3'-indole]-5'-yl]benzenesulfonamide
CID 159847260
4-fluoro-N-(7-methoxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-2-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]benzenesulfonamide
CID 135124333
N-(7-bromo-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl)-2,4-difluorobenzenesulfonamide;2,4-difluoro-N-[7-(3-hydroxyphenyl)-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide;(3-hydroxyphenyl)boronic acid
CID 157212324
tert-butyl 4-[5-[(4-fluoro-2-methoxyphenyl)sulfonylamino]-2-oxospiro[1H-indole-3,1'-cyclobutane]-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 135184801

Frequently Asked Questions

What is the IUPAC name of N-(7-benzyl-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl)-4-fluoro-2-methoxybenzenesulfonamide?
The IUPAC name of N-(7-benzyl-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl)-4-fluoro-2-methoxybenzenesulfonamide (CID 160623115) is N-(7-benzyl-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl)-4-fluoro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(7-benzyl-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl)-4-fluoro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(7-benzyl-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl)-4-fluoro-2-methoxybenzenesulfonamide is COc1cc(F)ccc1S(=O)(=O)Nc1cc(Cc2ccccc2)c2c(c1)C1(CCC1)C(=O)C2.
What is the InChIKey of N-(7-benzyl-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl)-4-fluoro-2-methoxybenzenesulfonamide?
The InChIKey is KVUZFKCYIYNONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO4S/c1-32-23-14-19(27)8-9-24(23)33(30,31)28-20-13-18(12-17-6-3-2-4-7-17)21-16-25(29)26(10-5-11-26)22(21)15-20/h2-4,6-9,13-15,28H,5,10-12,16H2,1H3.
What are the key properties of N-(7-benzyl-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl)-4-fluoro-2-methoxybenzenesulfonamide?
N-(7-benzyl-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl)-4-fluoro-2-methoxybenzenesulfonamide has a molecular weight of 465.55 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-benzyl-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl)-4-fluoro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 160623115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).