N-(5-pyridin-3-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide

C17H20N2O2S — CID 11580514

IUPACN-(5-pyridin-3-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1Cc2ccc(-c3cccnc3)cc2C1
InChIInChI=1S/C17H20N2O2S/c1-12(2)22(20,21)19-17-9-14-6-5-13(8-16(14)10-17)15-4-3-7-18-11-15/h3-8,11-12,17,19H,9-10H2,1-2H3
InChIKeyJYFFQMUEOPGGBU-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.54
Rot. Bonds4

About N-(5-pyridin-3-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide

N-(5-pyridin-3-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide (PubChem CID 11580514) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-(5-pyridin-3-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(5-pyridin-3-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide
PubChem CID11580514
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-(5-pyridin-3-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1Cc2ccc(-c3cccnc3)cc2C1
InChIInChI=1S/C17H20N2O2S/c1-12(2)22(20,21)19-17-9-14-6-5-13(8-16(14)10-17)15-4-3-7-18-11-15/h3-8,11-12,17,19H,9-10H2,1-2H3
InChIKeyJYFFQMUEOPGGBU-UHFFFAOYSA-N
XLogP2.54
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-pyridin-3-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide?
The IUPAC name of N-(5-pyridin-3-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide (CID 11580514) is N-(5-pyridin-3-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(5-pyridin-3-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide?
The canonical SMILES for N-(5-pyridin-3-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1Cc2ccc(-c3cccnc3)cc2C1.
What is the InChIKey of N-(5-pyridin-3-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide?
The InChIKey is JYFFQMUEOPGGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12(2)22(20,21)19-17-9-14-6-5-13(8-16(14)10-17)15-4-3-7-18-11-15/h3-8,11-12,17,19H,9-10H2,1-2H3.
What are the key properties of N-(5-pyridin-3-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide?
N-(5-pyridin-3-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyridin-3-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 11580514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).