1-(2-fluoroethyl)-2-methylindole-3-sulfonamide

C11H13FN2O2S — CID 82696370

IUPAC1-(2-fluoroethyl)-2-methylindole-3-sulfonamide
SMILESCc1c(S(N)(=O)=O)c2ccccc2n1CCF
InChIInChI=1S/C11H13FN2O2S/c1-8-11(17(13,15)16)9-4-2-3-5-10(9)14(8)7-6-12/h2-5H,6-7H2,1H3,(H2,13,15,16)
InChIKeyMYCLOXMTTOLMSR-UHFFFAOYSA-N
MW256.30 g/mol
LogP1.57
Rot. Bonds3

About 1-(2-fluoroethyl)-2-methylindole-3-sulfonamide

1-(2-fluoroethyl)-2-methylindole-3-sulfonamide (PubChem CID 82696370) has the molecular formula C11H13FN2O2S and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2-methylindole-3-sulfonamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2-methylindole-3-sulfonamide
PubChem CID82696370
Molecular FormulaC11H13FN2O2S
Molecular Weight256.30 g/mol
Exact Mass256.07
IUPAC Name1-(2-fluoroethyl)-2-methylindole-3-sulfonamide
SMILESCc1c(S(N)(=O)=O)c2ccccc2n1CCF
InChIInChI=1S/C11H13FN2O2S/c1-8-11(17(13,15)16)9-4-2-3-5-10(9)14(8)7-6-12/h2-5H,6-7H2,1H3,(H2,13,15,16)
InChIKeyMYCLOXMTTOLMSR-UHFFFAOYSA-N
XLogP1.57
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2-methylindole-3-sulfonamide?
The IUPAC name of 1-(2-fluoroethyl)-2-methylindole-3-sulfonamide (CID 82696370) is 1-(2-fluoroethyl)-2-methylindole-3-sulfonamide.
What is the SMILES notation for 1-(2-fluoroethyl)-2-methylindole-3-sulfonamide?
The canonical SMILES for 1-(2-fluoroethyl)-2-methylindole-3-sulfonamide is Cc1c(S(N)(=O)=O)c2ccccc2n1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-2-methylindole-3-sulfonamide?
The InChIKey is MYCLOXMTTOLMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2S/c1-8-11(17(13,15)16)9-4-2-3-5-10(9)14(8)7-6-12/h2-5H,6-7H2,1H3,(H2,13,15,16).
What are the key properties of 1-(2-fluoroethyl)-2-methylindole-3-sulfonamide?
1-(2-fluoroethyl)-2-methylindole-3-sulfonamide has a molecular weight of 256.30 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2-methylindole-3-sulfonamide is sourced from PubChem (CID 82696370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).