1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide

C11H11F3N2O2S — CID 106386056

IUPAC1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C11H11F3N2O2S/c12-11(13,14)19(17,18)16-6-5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,15-16H,5-6H2
InChIKeyDCDMDJVVHPTTOS-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.15
Rot. Bonds4

About 1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide

1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide (PubChem CID 106386056) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide
PubChem CID106386056
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC Name1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(NCCc1c[nH]c2ccccc12)C(F)(F)F
InChIInChI=1S/C11H11F3N2O2S/c12-11(13,14)19(17,18)16-6-5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,15-16H,5-6H2
InChIKeyDCDMDJVVHPTTOS-UHFFFAOYSA-N
XLogP2.15
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-yl)-N-(trifluoromethyl)ethanamine
CID 54050405
N'-[2-(1H-indol-3-yl)ethylsulfamoyl]ethane-1,2-diamine
CID 84760927
2,6-difluoro-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 25035880
N-[2-(1H-indol-3-yl)ethyl]cyclopropanesulfonamide
CID 113250435
2,2,2-trifluoro-N-[2-(1H-indol-3-yl)ethyl]ethanamine
CID 67232901
N-[2-(1H-indol-3-yl)ethyl]-2,4,5-trimethylbenzenesulfonamide
CID 35539650
N-[2-(1H-indol-3-yl)ethyl]piperazine-1-sulfonamide
CID 61252751
2-amino-3,3,3-trifluoro-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 79792358
4-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2737664
carbamic acid;N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 158434815
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide (CID 106386056) is 1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide is O=S(=O)(NCCc1c[nH]c2ccccc12)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide?
The InChIKey is DCDMDJVVHPTTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c12-11(13,14)19(17,18)16-6-5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,15-16H,5-6H2.
What are the key properties of 1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide?
1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide has a molecular weight of 292.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 106386056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).