1-(2-fluorobenzoyl)-N-methyl-2,3-dihydroindole-5-sulfonamide

C16H15FN2O3S — CID 51098268

IUPAC1-(2-fluorobenzoyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1F
InChIInChI=1S/C16H15FN2O3S/c1-18-23(21,22)12-6-7-15-11(10-12)8-9-19(15)16(20)13-4-2-3-5-14(13)17/h2-7,10,18H,8-9H2,1H3
InChIKeyMLAUXXOCJYXBIG-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.94
Rot. Bonds3

About 1-(2-fluorobenzoyl)-N-methyl-2,3-dihydroindole-5-sulfonamide

1-(2-fluorobenzoyl)-N-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 51098268) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-(2-fluorobenzoyl)-N-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(2-fluorobenzoyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID51098268
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name1-(2-fluorobenzoyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1F
InChIInChI=1S/C16H15FN2O3S/c1-18-23(21,22)12-6-7-15-11(10-12)8-9-19(15)16(20)13-4-2-3-5-14(13)17/h2-7,10,18H,8-9H2,1H3
InChIKeyMLAUXXOCJYXBIG-UHFFFAOYSA-N
XLogP1.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorobenzoyl)-N-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(2-fluorobenzoyl)-N-methyl-2,3-dihydroindole-5-sulfonamide (CID 51098268) is 1-(2-fluorobenzoyl)-N-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(2-fluorobenzoyl)-N-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(2-fluorobenzoyl)-N-methyl-2,3-dihydroindole-5-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorobenzoyl)-N-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is MLAUXXOCJYXBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-18-23(21,22)12-6-7-15-11(10-12)8-9-19(15)16(20)13-4-2-3-5-14(13)17/h2-7,10,18H,8-9H2,1H3.
What are the key properties of 1-(2-fluorobenzoyl)-N-methyl-2,3-dihydroindole-5-sulfonamide?
1-(2-fluorobenzoyl)-N-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 334.37 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorobenzoyl)-N-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 51098268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).