2-propan-2-ylsulfonyl-1H-indole

C11H13NO2S — CID 150324916

IUPAC2-propan-2-ylsulfonyl-1H-indole
SMILESCC(C)S(=O)(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C11H13NO2S/c1-8(2)15(13,14)11-7-9-5-3-4-6-10(9)12-11/h3-8,12H,1-2H3
InChIKeyGOKPSDSYCJRZLT-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.35
Rot. Bonds2

About 2-propan-2-ylsulfonyl-1H-indole

2-propan-2-ylsulfonyl-1H-indole (PubChem CID 150324916) has the molecular formula C11H13NO2S and a molecular weight of 223.30 g/mol. Its IUPAC name is 2-propan-2-ylsulfonyl-1H-indole.

Molecular Properties

Compound Name2-propan-2-ylsulfonyl-1H-indole
PubChem CID150324916
Molecular FormulaC11H13NO2S
Molecular Weight223.30 g/mol
Exact Mass223.07
IUPAC Name2-propan-2-ylsulfonyl-1H-indole
SMILESCC(C)S(=O)(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C11H13NO2S/c1-8(2)15(13,14)11-7-9-5-3-4-6-10(9)12-11/h3-8,12H,1-2H3
InChIKeyGOKPSDSYCJRZLT-UHFFFAOYSA-N
XLogP2.35
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-propan-2-ylsulfonyl-1H-indole 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-(1-methylsulfonylethyl)-1H-indole
CID 173051925
N-methyl-N-propan-2-yl-1H-indole-2-carboxamide
CID 43420535
2-(2-chloro-1,1,2-trifluoroethyl)sulfonyl-1H-indole
CID 150326829
2-(4-nitrophenyl)sulfonyl-1H-indole
CID 140573941
1H-indole-2-sulfonic acid;pyridine
CID 175739122
N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide
CID 66547075
2-(1H-indol-2-ylsulfonylamino)acetic acid
CID 22400906
2-(1H-indol-2-yl)propanal
CID 88965178
3-(1H-indol-2-ylsulfonyl)-2H-triazole-1-sulfonamide
CID 68649291
N-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 102184526
N-(1H-indol-2-yl)ethanesulfonamide
CID 70353498
N-(2-methylpropyl)-N-propan-2-yl-1H-indole-2-carboxamide
CID 55026359

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylsulfonyl-1H-indole?
The IUPAC name of 2-propan-2-ylsulfonyl-1H-indole (CID 150324916) is 2-propan-2-ylsulfonyl-1H-indole.
What is the SMILES notation for 2-propan-2-ylsulfonyl-1H-indole?
The canonical SMILES for 2-propan-2-ylsulfonyl-1H-indole is CC(C)S(=O)(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of 2-propan-2-ylsulfonyl-1H-indole?
The InChIKey is GOKPSDSYCJRZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2S/c1-8(2)15(13,14)11-7-9-5-3-4-6-10(9)12-11/h3-8,12H,1-2H3.
What are the key properties of 2-propan-2-ylsulfonyl-1H-indole?
2-propan-2-ylsulfonyl-1H-indole has a molecular weight of 223.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylsulfonyl-1H-indole is sourced from PubChem (CID 150324916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).