N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-methylbenzenesulfonamide

C18H21NO2S — CID 11232307

IUPACN-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC(C)(C)c3ccccc32)cc1
InChIInChI=1S/C18H21NO2S/c1-13-8-10-14(11-9-13)22(20,21)19-17-12-18(2,3)16-7-5-4-6-15(16)17/h4-11,17,19H,12H2,1-3H3
InChIKeyVEYFVFVSDXNLEX-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.70
Rot. Bonds3

About N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-methylbenzenesulfonamide

N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-methylbenzenesulfonamide (PubChem CID 11232307) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-methylbenzenesulfonamide
PubChem CID11232307
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC NameN-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CC(C)(C)c3ccccc32)cc1
InChIInChI=1S/C18H21NO2S/c1-13-8-10-14(11-9-13)22(20,21)19-17-12-18(2,3)16-7-5-4-6-15(16)17/h4-11,17,19H,12H2,1-3H3
InChIKeyVEYFVFVSDXNLEX-UHFFFAOYSA-N
XLogP3.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-methylbenzenesulfonamide 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-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-methylbenzenesulfonamide (CID 11232307) is N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CC(C)(C)c3ccccc32)cc1.
What is the InChIKey of N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-methylbenzenesulfonamide?
The InChIKey is VEYFVFVSDXNLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-13-8-10-14(11-9-13)22(20,21)19-17-12-18(2,3)16-7-5-4-6-15(16)17/h4-11,17,19H,12H2,1-3H3.
What are the key properties of N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-methylbenzenesulfonamide?
N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-methylbenzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1,2-dihydroinden-1-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 11232307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).