N-(2,3-dihydro-1H-inden-5-yl)-3,4-dimethylbenzenesulfonamide

C17H19NO2S — CID 2696844

IUPACN-(2,3-dihydro-1H-inden-5-yl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1C
InChIInChI=1S/C17H19NO2S/c1-12-6-9-17(10-13(12)2)21(19,20)18-16-8-7-14-4-3-5-15(14)11-16/h6-11,18H,3-5H2,1-2H3
InChIKeySDUQTFVVWCVVOO-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.59
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-yl)-3,4-dimethylbenzenesulfonamide

N-(2,3-dihydro-1H-inden-5-yl)-3,4-dimethylbenzenesulfonamide (PubChem CID 2696844) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-3,4-dimethylbenzenesulfonamide
PubChem CID2696844
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1C
InChIInChI=1S/C17H19NO2S/c1-12-6-9-17(10-13(12)2)21(19,20)18-16-8-7-14-4-3-5-15(14)11-16/h6-11,18H,3-5H2,1-2H3
InChIKeySDUQTFVVWCVVOO-UHFFFAOYSA-N
XLogP3.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dihydro-1H-inden-5-yl)-3,4-dimethylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-3,4-dimethylbenzenesulfonamide (CID 2696844) is N-(2,3-dihydro-1H-inden-5-yl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1C.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is SDUQTFVVWCVVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12-6-9-17(10-13(12)2)21(19,20)18-16-8-7-14-4-3-5-15(14)11-16/h6-11,18H,3-5H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-3,4-dimethylbenzenesulfonamide?
N-(2,3-dihydro-1H-inden-5-yl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 301.41 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 2696844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).