N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-sulfonamide

C12H15F3N2O2S — CID 115520729

IUPACN-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-sulfonamide
SMILESO=S(=O)(NCCCC(F)(F)F)c1ccc2c(c1)CCN2
InChIInChI=1S/C12H15F3N2O2S/c13-12(14,15)5-1-6-17-20(18,19)10-2-3-11-9(8-10)4-7-16-11/h2-3,8,16-17H,1,4-7H2
InChIKeyHCOYNAXXXCDZON-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.28
Rot. Bonds5

About N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-sulfonamide

N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-sulfonamide (PubChem CID 115520729) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-sulfonamide
PubChem CID115520729
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC NameN-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-sulfonamide
SMILESO=S(=O)(NCCCC(F)(F)F)c1ccc2c(c1)CCN2
InChIInChI=1S/C12H15F3N2O2S/c13-12(14,15)5-1-6-17-20(18,19)10-2-3-11-9(8-10)4-7-16-11/h2-3,8,16-17H,1,4-7H2
InChIKeyHCOYNAXXXCDZON-UHFFFAOYSA-N
XLogP2.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-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-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 64531595
N-(2-cyclopentyloxyethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 63829043
N-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 106191065
N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 62693554
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 28940813
4-(4,4,4-trifluorobutylsulfamoyl)benzenesulfonyl fluoride
CID 114958441
4-methyl-N-(4,4,4-trifluorobutyl)benzenesulfonamide
CID 138979627
3-(4,4,4-trifluorobutylsulfamoyl)benzenesulfonyl fluoride
CID 114958442
N-[(3-methylcyclopentyl)methyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 107414189
6-oxo-N-(4,4,4-trifluorobutyl)-1H-pyridine-3-sulfonamide
CID 115521683
5-ethylsulfonyl-2,3-dihydro-1H-indole
CID 134176519
N-(oxolan-3-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 62823134

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The IUPAC name of N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-sulfonamide (CID 115520729) is N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-sulfonamide.
What is the SMILES notation for N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The canonical SMILES for N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-sulfonamide is O=S(=O)(NCCCC(F)(F)F)c1ccc2c(c1)CCN2.
What is the InChIKey of N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-sulfonamide?
The InChIKey is HCOYNAXXXCDZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c13-12(14,15)5-1-6-17-20(18,19)10-2-3-11-9(8-10)4-7-16-11/h2-3,8,16-17H,1,4-7H2.
What are the key properties of N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-sulfonamide?
N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-sulfonamide has a molecular weight of 308.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-sulfonamide is sourced from PubChem (CID 115520729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).