N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide

C11H16N2O4S2 — CID 63242833

IUPACN-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)Nc1ccc2c(c1)CCN2
InChIInChI=1S/C11H16N2O4S2/c1-18(14,15)6-7-19(16,17)13-10-2-3-11-9(8-10)4-5-12-11/h2-3,8,12-13H,4-7H2,1H3
InChIKeyJHUCSCPPKDRKSG-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.44
Rot. Bonds5

About N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide

N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide (PubChem CID 63242833) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide
PubChem CID63242833
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC NameN-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)Nc1ccc2c(c1)CCN2
InChIInChI=1S/C11H16N2O4S2/c1-18(14,15)6-7-19(16,17)13-10-2-3-11-9(8-10)4-5-12-11/h2-3,8,12-13H,4-7H2,1H3
InChIKeyJHUCSCPPKDRKSG-UHFFFAOYSA-N
XLogP0.44
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide 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

2-methylsulfonyl-N-(1,2,3,4-tetrahydroquinolin-7-yl)ethanesulfonamide
CID 63928943
N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylacetamide;hydrochloride
CID 119473829
N-(2-methylpropylsulfamoyl)-2,3-dihydro-1H-indol-5-amine
CID 114815982
N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604199
methyl 2-(1,2,3,4-tetrahydroquinolin-6-ylsulfamoyl)acetate
CID 55173042
N-(2,3-dihydro-1H-indol-5-yl)methanesulfonamide;5-nitro-2,3-dihydro-1H-indole
CID 157470076
N-(2,3-dihydro-1H-indol-5-yl)-2,4-dimethylbenzenesulfonamide
CID 43604252
N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
CID 175177569
2,6-dichloro-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
CID 43604311
5-ethylsulfonyl-2,3-dihydro-1H-indole
CID 134176519
4-chloro-N-(2,3-dihydro-1H-indol-5-yl)-2-methylbenzenesulfonamide
CID 43604283
N-(3-amino-4-bromophenyl)-2-methylsulfonylethanesulfonamide
CID 79768205

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide (CID 63242833) is N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)Nc1ccc2c(c1)CCN2.
What is the InChIKey of N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide?
The InChIKey is JHUCSCPPKDRKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-18(14,15)6-7-19(16,17)13-10-2-3-11-9(8-10)4-5-12-11/h2-3,8,12-13H,4-7H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide?
N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide has a molecular weight of 304.39 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-5-yl)-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 63242833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).