N-[7-[(6-amino-3-pyridinyl)oxy]-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]-2-methoxybenzenesulfonamide

C23H22N4O5S — CID 135184783

IUPACN-[7-[(6-amino-3-pyridinyl)oxy]-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cc(Oc2ccc(N)nc2)c2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C23H22N4O5S/c1-31-17-5-2-3-6-19(17)33(29,30)27-14-11-16-21(26-22(28)23(16)9-4-10-23)18(12-14)32-15-7-8-20(24)25-13-15/h2-3,5-8,11-13,27H,4,9-10H2,1H3,(H2,24,25)(H,26,28)
InChIKeyAUENSFCLNBKRRH-UHFFFAOYSA-N
MW466.52 g/mol
LogP3.64
Rot. Bonds6

About N-[7-[(6-amino-3-pyridinyl)oxy]-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]-2-methoxybenzenesulfonamide

N-[7-[(6-amino-3-pyridinyl)oxy]-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]-2-methoxybenzenesulfonamide (PubChem CID 135184783) has the molecular formula C23H22N4O5S and a molecular weight of 466.52 g/mol. Its IUPAC name is N-[7-[(6-amino-3-pyridinyl)oxy]-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[7-[(6-amino-3-pyridinyl)oxy]-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]-2-methoxybenzenesulfonamide
PubChem CID135184783
Molecular FormulaC23H22N4O5S
Molecular Weight466.52 g/mol
Exact Mass466.13
IUPAC NameN-[7-[(6-amino-3-pyridinyl)oxy]-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1cc(Oc2ccc(N)nc2)c2c(c1)C1(CCC1)C(=O)N2
InChIInChI=1S/C23H22N4O5S/c1-31-17-5-2-3-6-19(17)33(29,30)27-14-11-16-21(26-22(28)23(16)9-4-10-23)18(12-14)32-15-7-8-20(24)25-13-15/h2-3,5-8,11-13,27H,4,9-10H2,1H3,(H2,24,25)(H,26,28)
InChIKeyAUENSFCLNBKRRH-UHFFFAOYSA-N
XLogP3.64
TPSA132.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-N-[7-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl]benzenesulfonamide
CID 135136273
N-[7-(1-methylpiperidin-4-yl)oxy-2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl]-2-propan-2-yloxybenzenesulfonamide
CID 135123457
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
2-methoxy-N-(2-oxo-7-piperidin-4-yloxyspiro[1H-indene-3,1'-cyclobutane]-5-yl)benzenesulfonamide
CID 147851269
2-methoxy-N-[2-oxo-7-(1-pyridin-2-ylethyl)spiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide
CID 160873258
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
2,4-difluoro-N-(7-methyl-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl)benzenesulfonamide
CID 118169107
N-[7'-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-1'-[(4-methoxyphenyl)methyl]-2'-oxospiro[cyclobutane-1,3'-indole]-5'-yl]-2-methoxybenzenesulfonamide
CID 140882894
2-methoxy-N-[7-(1-methylazepan-4-yl)oxy-2-oxospiro[1H-indene-3,1'-cyclobutane]-5-yl]benzenesulfonamide
CID 148996778
2-chloro-4-fluoro-N-[7-(1-methylpiperidin-4-yl)oxy-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]benzenesulfonamide
CID 135184782
N-(2-chloro-4-pyridinyl)-2-methoxybenzenesulfonamide
CID 75448368
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-[(6-amino-3-pyridinyl)oxy]-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[7-[(6-amino-3-pyridinyl)oxy]-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]-2-methoxybenzenesulfonamide (CID 135184783) is N-[7-[(6-amino-3-pyridinyl)oxy]-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[7-[(6-amino-3-pyridinyl)oxy]-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[7-[(6-amino-3-pyridinyl)oxy]-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1cc(Oc2ccc(N)nc2)c2c(c1)C1(CCC1)C(=O)N2.
What is the InChIKey of N-[7-[(6-amino-3-pyridinyl)oxy]-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]-2-methoxybenzenesulfonamide?
The InChIKey is AUENSFCLNBKRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5S/c1-31-17-5-2-3-6-19(17)33(29,30)27-14-11-16-21(26-22(28)23(16)9-4-10-23)18(12-14)32-15-7-8-20(24)25-13-15/h2-3,5-8,11-13,27H,4,9-10H2,1H3,(H2,24,25)(H,26,28).
What are the key properties of N-[7-[(6-amino-3-pyridinyl)oxy]-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]-2-methoxybenzenesulfonamide?
N-[7-[(6-amino-3-pyridinyl)oxy]-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]-2-methoxybenzenesulfonamide has a molecular weight of 466.52 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(6-amino-3-pyridinyl)oxy]-2-oxospiro[1H-indole-3,1'-cyclobutane]-5-yl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 135184783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).