N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4,6-trimethylbenzenesulfonamide

C19H22N2O3S — CID 110405797

IUPACN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3)c(C)c1
InChIInChI=1S/C19H22N2O3S/c1-11-8-12(2)17(13(3)9-11)25(23,24)21-14-6-7-16-15(10-14)19(4,5)18(22)20-16/h6-10,21H,1-5H3,(H,20,22)
InChIKeyLDAQJOPEGKVUAO-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.64
Rot. Bonds3

About N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4,6-trimethylbenzenesulfonamide

N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4,6-trimethylbenzenesulfonamide (PubChem CID 110405797) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4,6-trimethylbenzenesulfonamide
PubChem CID110405797
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3)c(C)c1
InChIInChI=1S/C19H22N2O3S/c1-11-8-12(2)17(13(3)9-11)25(23,24)21-14-6-7-16-15(10-14)19(4,5)18(22)20-16/h6-10,21H,1-5H3,(H,20,22)
InChIKeyLDAQJOPEGKVUAO-UHFFFAOYSA-N
XLogP3.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4,6-trimethylbenzenesulfonamide 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

5-chloro-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)thiophene-2-sulfonamide
CID 110405814
2,4-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclopentane]-5-yl)benzenesulfonamide
CID 110405656
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335
2,4,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 46346354
N-[3-(1H-imidazol-5-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 110668633
2,4,6-trimethyl-N-(5H-pyrido[4,3-b]indol-8-yl)benzenesulfonamide
CID 52941468
3,3,7-trimethyl-2-oxo-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-1H-indole-5-sulfonamide
CID 171133385
3,5-dimethyl-N-(2-oxospiro[1H-indole-3,1'-cyclohexane]-5-yl)-1H-pyrazole-4-sulfonamide
CID 110405556
N-[4-(hydroxymethyl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 64795077
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)acetamide
CID 110618656
N-(4,4-dimethyl-3-oxo-1,2-dihydroisoquinolin-6-yl)-4-methylbenzenesulfonamide
CID 169372782
N-(2,6-difluorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384568

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4,6-trimethylbenzenesulfonamide (CID 110405797) is N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3)c(C)c1.
What is the InChIKey of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is LDAQJOPEGKVUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-11-8-12(2)17(13(3)9-11)25(23,24)21-14-6-7-16-15(10-14)19(4,5)18(22)20-16/h6-10,21H,1-5H3,(H,20,22).
What are the key properties of N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4,6-trimethylbenzenesulfonamide?
N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-2-oxo-1H-indol-5-yl)-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 110405797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).