N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide

C14H22N2O2S — CID 104828898

IUPACN-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)NCC2)C(C)(C)C
InChIInChI=1S/C14H22N2O2S/c1-10(14(2,3)4)16-19(17,18)12-6-5-11-7-8-15-13(11)9-12/h5-6,9-10,15-16H,7-8H2,1-4H3
InChIKeyNUNQTELHDLCJGV-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.37
Rot. Bonds3

About N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide

N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide (PubChem CID 104828898) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide
PubChem CID104828898
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide
SMILESCC(NS(=O)(=O)c1ccc2c(c1)NCC2)C(C)(C)C
InChIInChI=1S/C14H22N2O2S/c1-10(14(2,3)4)16-19(17,18)12-6-5-11-7-8-15-13(11)9-12/h5-6,9-10,15-16H,7-8H2,1-4H3
InChIKeyNUNQTELHDLCJGV-UHFFFAOYSA-N
XLogP2.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide 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-but-3-yn-2-yl-2,3-dihydro-1H-indole-5-sulfonamide
CID 114418208
N,N-dimethyl-2,3-dihydro-1H-indole-6-sulfonamide
CID 10376417
N-[(2R)-3,3-dimethylbutan-2-yl]-4-methylbenzenesulfonamide
CID 11637441
N-(2-ethoxy-2-methylpropyl)-1,2,3,4-tetrahydroquinoline-7-sulfonamide
CID 114943139
N-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide
CID 107585860
N-(4,6-dimethyl-2-pyridinyl)-2,3-dihydro-1H-indole-6-sulfonamide
CID 114932717
N-thiophen-3-yl-2,3-dihydro-1H-indole-6-sulfonamide
CID 66356499
N-(3,3-dimethylbutan-2-yl)-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 3800942
N-[1-(furan-2-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 43535866
2-chloro-N-(3,3-dimethylbutan-2-yl)pyridine-4-sulfonamide
CID 104828022
N-[(2R)-butan-2-yl]-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
CID 90259153
N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide
CID 114469007

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide (CID 104828898) is N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide is CC(NS(=O)(=O)c1ccc2c(c1)NCC2)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide?
The InChIKey is NUNQTELHDLCJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-10(14(2,3)4)16-19(17,18)12-6-5-11-7-8-15-13(11)9-12/h5-6,9-10,15-16H,7-8H2,1-4H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide?
N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-2,3-dihydro-1H-indole-6-sulfonamide is sourced from PubChem (CID 104828898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).