1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide

C15H15FN2O2S — CID 71943822

IUPAC1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2S/c16-13-3-1-11(2-4-13)10-18-8-7-12-9-14(21(17,19)20)5-6-15(12)18/h1-6,9H,7-8,10H2,(H2,17,19,20)
InChIKeyWYVMYPYYLXXDNU-UHFFFAOYSA-N
MW306.36 g/mol
LogP2.04
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide

1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 71943822) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID71943822
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC Name1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2S/c16-13-3-1-11(2-4-13)10-18-8-7-12-9-14(21(17,19)20)5-6-15(12)18/h1-6,9H,7-8,10H2,(H2,17,19,20)
InChIKeyWYVMYPYYLXXDNU-UHFFFAOYSA-N
XLogP2.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide (CID 71943822) is 1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is WYVMYPYYLXXDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c16-13-3-1-11(2-4-13)10-18-8-7-12-9-14(21(17,19)20)5-6-15(12)18/h1-6,9H,7-8,10H2,(H2,17,19,20).
What are the key properties of 1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide?
1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 306.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 71943822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).