N-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-fluoropropyl]pyridine-3-sulfonamide

C17H19FN2O2S — CID 151592049

IUPACN-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-fluoropropyl]pyridine-3-sulfonamide
SMILESC[C@@H](F)CN(c1ccc2c(c1)CCC2)S(=O)(=O)c1cccnc1
InChIInChI=1S/C17H19FN2O2S/c1-13(18)12-20(23(21,22)17-6-3-9-19-11-17)16-8-7-14-4-2-5-15(14)10-16/h3,6-11,13H,2,4-5,12H2,1H3/t13-/m1/s1
InChIKeyQIRVVNDAIJOXLO-CYBMUJFWSA-N
MW334.42 g/mol
LogP3.12
Rot. Bonds5

About N-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-fluoropropyl]pyridine-3-sulfonamide

N-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-fluoropropyl]pyridine-3-sulfonamide (PubChem CID 151592049) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-fluoropropyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-fluoropropyl]pyridine-3-sulfonamide
PubChem CID151592049
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-fluoropropyl]pyridine-3-sulfonamide
SMILESC[C@@H](F)CN(c1ccc2c(c1)CCC2)S(=O)(=O)c1cccnc1
InChIInChI=1S/C17H19FN2O2S/c1-13(18)12-20(23(21,22)17-6-3-9-19-11-17)16-8-7-14-4-2-5-15(14)10-16/h3,6-11,13H,2,4-5,12H2,1H3/t13-/m1/s1
InChIKeyQIRVVNDAIJOXLO-CYBMUJFWSA-N
XLogP3.12
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-fluoropropyl]pyridine-3-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-fluoropropyl]pyridine-3-sulfonamide (CID 151592049) is N-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-fluoropropyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-fluoropropyl]pyridine-3-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-fluoropropyl]pyridine-3-sulfonamide is C[C@@H](F)CN(c1ccc2c(c1)CCC2)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-fluoropropyl]pyridine-3-sulfonamide?
The InChIKey is QIRVVNDAIJOXLO-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-13(18)12-20(23(21,22)17-6-3-9-19-11-17)16-8-7-14-4-2-5-15(14)10-16/h3,6-11,13H,2,4-5,12H2,1H3/t13-/m1/s1.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-fluoropropyl]pyridine-3-sulfonamide?
N-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-fluoropropyl]pyridine-3-sulfonamide has a molecular weight of 334.42 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-fluoropropyl]pyridine-3-sulfonamide is sourced from PubChem (CID 151592049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).