2,3,4-trifluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide

C17H15F3N2O2S — CID 3776949

IUPAC2,3,4-trifluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(F)c(F)c3F)c2c1
InChIInChI=1S/C17H15F3N2O2S/c1-10-2-4-14-12(8-10)11(9-21-14)6-7-22-25(23,24)15-5-3-13(18)16(19)17(15)20/h2-5,8-9,21-22H,6-7H2,1H3
InChIKeyFJVJGTIPSOQBSG-UHFFFAOYSA-N
MW368.38 g/mol
LogP3.41
Rot. Bonds5

About 2,3,4-trifluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide

2,3,4-trifluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide (PubChem CID 3776949) has the molecular formula C17H15F3N2O2S and a molecular weight of 368.38 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
PubChem CID3776949
Molecular FormulaC17H15F3N2O2S
Molecular Weight368.38 g/mol
Exact Mass368.08
IUPAC Name2,3,4-trifluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
SMILESCc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(F)c(F)c3F)c2c1
InChIInChI=1S/C17H15F3N2O2S/c1-10-2-4-14-12(8-10)11(9-21-14)6-7-22-25(23,24)15-5-3-13(18)16(19)17(15)20/h2-5,8-9,21-22H,6-7H2,1H3
InChIKeyFJVJGTIPSOQBSG-UHFFFAOYSA-N
XLogP3.41
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 113083697
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide
CID 3161292
5-chloro-1,3-dimethyl-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 5004905
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-nitrobenzenesulfonamide
CID 3603975
N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide
CID 35539650
N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2991494
5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113083673
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 51164021
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-iodobenzenesulfonamide
CID 5008232
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 4997493
2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
2-(5-methyl-1H-indol-3-yl)ethyl methanesulfonate
CID 86602334

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide (CID 3776949) is 2,3,4-trifluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide is Cc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(F)c(F)c3F)c2c1.
What is the InChIKey of 2,3,4-trifluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is FJVJGTIPSOQBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O2S/c1-10-2-4-14-12(8-10)11(9-21-14)6-7-22-25(23,24)15-5-3-13(18)16(19)17(15)20/h2-5,8-9,21-22H,6-7H2,1H3.
What are the key properties of 2,3,4-trifluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide?
2,3,4-trifluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 368.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 3776949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).