4-methyl-N-[(3R)-1'-methyl-2,2'-dioxospiro[1-benzofuran-3,3'-indole]-5-yl]benzenesulfonamide

C23H18N2O5S — CID 146162874

IUPAC4-methyl-N-[(3R)-1'-methyl-2,2'-dioxospiro[1-benzofuran-3,3'-indole]-5-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)[C@@]2(C(=O)O3)C(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C23H18N2O5S/c1-14-7-10-16(11-8-14)31(28,29)24-15-9-12-20-18(13-15)23(22(27)30-20)17-5-3-4-6-19(17)25(2)21(23)26/h3-13,24H,1-2H3/t23-/m1/s1
InChIKeyBJJUONJHMIBKEG-HSZRJFAPSA-N
MW434.47 g/mol
LogP2.98
Rot. Bonds3

About 4-methyl-N-[(3R)-1'-methyl-2,2'-dioxospiro[1-benzofuran-3,3'-indole]-5-yl]benzenesulfonamide

4-methyl-N-[(3R)-1'-methyl-2,2'-dioxospiro[1-benzofuran-3,3'-indole]-5-yl]benzenesulfonamide (PubChem CID 146162874) has the molecular formula C23H18N2O5S and a molecular weight of 434.47 g/mol. Its IUPAC name is 4-methyl-N-[(3R)-1'-methyl-2,2'-dioxospiro[1-benzofuran-3,3'-indole]-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(3R)-1'-methyl-2,2'-dioxospiro[1-benzofuran-3,3'-indole]-5-yl]benzenesulfonamide
PubChem CID146162874
Molecular FormulaC23H18N2O5S
Molecular Weight434.47 g/mol
Exact Mass434.09
IUPAC Name4-methyl-N-[(3R)-1'-methyl-2,2'-dioxospiro[1-benzofuran-3,3'-indole]-5-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)[C@@]2(C(=O)O3)C(=O)N(C)c3ccccc32)cc1
InChIInChI=1S/C23H18N2O5S/c1-14-7-10-16(11-8-14)31(28,29)24-15-9-12-20-18(13-15)23(22(27)30-20)17-5-3-4-6-19(17)25(2)21(23)26/h3-13,24H,1-2H3/t23-/m1/s1
InChIKeyBJJUONJHMIBKEG-HSZRJFAPSA-N
XLogP2.98
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 4-methyl-N-[(3R)-1'-methyl-2,2'-dioxospiro[1-benzofuran-3,3'-indole]-5-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-4-methylbenzenesulfonamide
CID 16809487
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide
CID 40889368
4-methyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)benzenesulfonamide
CID 110778415
N-benzo[b][1]benzoxepin-2-yl-4-methylbenzenesulfonamide
CID 169373402
2,5-dimethyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)benzenesulfonamide
CID 27369569
N-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzenesulfonamide
CID 169372782
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 25041319
N-[3-(dimethylamino)-4-methylphenyl]-4-methylbenzenesulfonamide
CID 169371894
4-methyl-N-[3-[N-methyl-4-(N-methylanilino)anilino]phenyl]benzenesulfonamide
CID 54015900
N-(4-iodo-3-methylphenyl)-4-methylbenzenesulfonamide
CID 86078083
2,3,5,6-tetramethyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 22772989
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3R)-1'-methyl-2,2'-dioxospiro[1-benzofuran-3,3'-indole]-5-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(3R)-1'-methyl-2,2'-dioxospiro[1-benzofuran-3,3'-indole]-5-yl]benzenesulfonamide (CID 146162874) is 4-methyl-N-[(3R)-1'-methyl-2,2'-dioxospiro[1-benzofuran-3,3'-indole]-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(3R)-1'-methyl-2,2'-dioxospiro[1-benzofuran-3,3'-indole]-5-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(3R)-1'-methyl-2,2'-dioxospiro[1-benzofuran-3,3'-indole]-5-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)[C@@]2(C(=O)O3)C(=O)N(C)c3ccccc32)cc1.
What is the InChIKey of 4-methyl-N-[(3R)-1'-methyl-2,2'-dioxospiro[1-benzofuran-3,3'-indole]-5-yl]benzenesulfonamide?
The InChIKey is BJJUONJHMIBKEG-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H18N2O5S/c1-14-7-10-16(11-8-14)31(28,29)24-15-9-12-20-18(13-15)23(22(27)30-20)17-5-3-4-6-19(17)25(2)21(23)26/h3-13,24H,1-2H3/t23-/m1/s1.
What are the key properties of 4-methyl-N-[(3R)-1'-methyl-2,2'-dioxospiro[1-benzofuran-3,3'-indole]-5-yl]benzenesulfonamide?
4-methyl-N-[(3R)-1'-methyl-2,2'-dioxospiro[1-benzofuran-3,3'-indole]-5-yl]benzenesulfonamide has a molecular weight of 434.47 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3R)-1'-methyl-2,2'-dioxospiro[1-benzofuran-3,3'-indole]-5-yl]benzenesulfonamide is sourced from PubChem (CID 146162874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).