5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-sulfonamide

C11H12F3N3O2S — CID 64853040

IUPAC5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C11H12F3N3O2S/c1-17(6-11(12,13)14)20(18,19)10-5-16-9-3-2-7(15)4-8(9)10/h2-5,16H,6,15H2,1H3
InChIKeyANWGMFTXBRBRJM-UHFFFAOYSA-N
MW307.30 g/mol
LogP1.93
Rot. Bonds3

About 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-sulfonamide

5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-sulfonamide (PubChem CID 64853040) has the molecular formula C11H12F3N3O2S and a molecular weight of 307.30 g/mol. Its IUPAC name is 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-sulfonamide
PubChem CID64853040
Molecular FormulaC11H12F3N3O2S
Molecular Weight307.30 g/mol
Exact Mass307.06
IUPAC Name5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-sulfonamide
SMILESCN(CC(F)(F)F)S(=O)(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C11H12F3N3O2S/c1-17(6-11(12,13)14)20(18,19)10-5-16-9-3-2-7(15)4-8(9)10/h2-5,16H,6,15H2,1H3
InChIKeyANWGMFTXBRBRJM-UHFFFAOYSA-N
XLogP1.93
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(cyclopropylmethyl)-N-methyl-1H-indole-3-sulfonamide
CID 64850304
5-amino-N-(2-methoxyethyl)-N-methyl-1H-indole-3-sulfonamide
CID 64853043
5-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-indole-3-sulfonamide
CID 64851686
5-amino-N-ethyl-N-propyl-1H-indole-3-sulfonamide
CID 64850696
5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892303
5-amino-N-butyl-N-ethyl-1H-indole-3-sulfonamide
CID 64850889
4-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60891916
5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892304
6-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-indole-3-sulfonamide
CID 66000148
5-amino-N-butyl-N-(2-hydroxyethyl)-1H-indole-3-sulfonamide
CID 64850898
5-amino-N-(2-hydroxy-2-methylpropyl)-1H-indole-3-sulfonamide
CID 65103687
6-amino-N-(2-ethoxyethyl)-N-methyl-1H-indole-3-sulfonamide
CID 81053511

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-sulfonamide?
The IUPAC name of 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-sulfonamide (CID 64853040) is 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-sulfonamide?
The canonical SMILES for 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-sulfonamide is CN(CC(F)(F)F)S(=O)(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-sulfonamide?
The InChIKey is ANWGMFTXBRBRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2S/c1-17(6-11(12,13)14)20(18,19)10-5-16-9-3-2-7(15)4-8(9)10/h2-5,16H,6,15H2,1H3.
What are the key properties of 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-sulfonamide?
5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-sulfonamide has a molecular weight of 307.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 64853040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).