N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

C21H23N3O3S — CID 135136269

IUPACN-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
SMILESO=C1Nc2ccc(NS(=O)(=O)c3ccc4c(c3)CNCC4)cc2C12CCCC2
InChIInChI=1S/C21H23N3O3S/c25-20-21(8-1-2-9-21)18-12-16(4-6-19(18)23-20)24-28(26,27)17-5-3-14-7-10-22-13-15(14)11-17/h3-6,11-12,22,24H,1-2,7-10,13H2,(H,23,25)
InChIKeySFJYFOJJRLRZMK-UHFFFAOYSA-N
MW397.50 g/mol
LogP2.90
Rot. Bonds3

About N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide

N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide (PubChem CID 135136269) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide.

Molecular Properties

Compound NameN-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
PubChem CID135136269
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
SMILESO=C1Nc2ccc(NS(=O)(=O)c3ccc4c(c3)CNCC4)cc2C12CCCC2
InChIInChI=1S/C21H23N3O3S/c25-20-21(8-1-2-9-21)18-12-16(4-6-19(18)23-20)24-28(26,27)17-5-3-14-7-10-22-13-15(14)11-17/h3-6,11-12,22,24H,1-2,7-10,13H2,(H,23,25)
InChIKeySFJYFOJJRLRZMK-UHFFFAOYSA-N
XLogP2.90
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide with MolForge

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Related Compounds

4-methoxy-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide
CID 110405654
N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
CID 12606928
N-(3,4-dichlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606927
N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606933
N-(4-bromophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606929
N-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606923
N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)thiophene-2-sulfonamide
CID 110405666
4-chloro-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzenesulfonamide
CID 20547448
2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide
CID 110405656
N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide;hydrochloride
CID 12606935
3,5-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-1H-pyrazole-4-sulfonamide
CID 110405556
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-yl)benzenesulfonamide
CID 21222073

Frequently Asked Questions

What is the IUPAC name of N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The IUPAC name of N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide (CID 135136269) is N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide.
What is the SMILES notation for N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The canonical SMILES for N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide is O=C1Nc2ccc(NS(=O)(=O)c3ccc4c(c3)CNCC4)cc2C12CCCC2.
What is the InChIKey of N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
The InChIKey is SFJYFOJJRLRZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c25-20-21(8-1-2-9-21)18-12-16(4-6-19(18)23-20)24-28(26,27)17-5-3-14-7-10-22-13-15(14)11-17/h3-6,11-12,22,24H,1-2,7-10,13H2,(H,23,25).
What are the key properties of N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide?
N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide has a molecular weight of 397.50 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide is sourced from PubChem (CID 135136269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).