N-[5-(3-cyanophenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

C19H20N2O2S — CID 11617056

IUPACN-[5-(3-cyanophenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1Cc2ccc(-c3cccc(C#N)c3)cc2C1
InChIInChI=1S/C19H20N2O2S/c1-13(2)24(22,23)21-19-10-17-7-6-16(9-18(17)11-19)15-5-3-4-14(8-15)12-20/h3-9,13,19,21H,10-11H2,1-2H3
InChIKeyZPTQWHBZIDRECZ-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.02
Rot. Bonds4

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

N-[5-(3-cyanophenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (PubChem CID 11617056) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[5-(3-cyanophenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(3-cyanophenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
PubChem CID11617056
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[5-(3-cyanophenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1Cc2ccc(-c3cccc(C#N)c3)cc2C1
InChIInChI=1S/C19H20N2O2S/c1-13(2)24(22,23)21-19-10-17-7-6-16(9-18(17)11-19)15-5-3-4-14(8-15)12-20/h3-9,13,19,21H,10-11H2,1-2H3
InChIKeyZPTQWHBZIDRECZ-UHFFFAOYSA-N
XLogP3.02
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyanophenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[5-(3-cyanophenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (CID 11617056) is N-[5-(3-cyanophenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-(3-cyanophenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[5-(3-cyanophenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1Cc2ccc(-c3cccc(C#N)c3)cc2C1.
What is the InChIKey of N-[5-(3-cyanophenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The InChIKey is ZPTQWHBZIDRECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-13(2)24(22,23)21-19-10-17-7-6-16(9-18(17)11-19)15-5-3-4-14(8-15)12-20/h3-9,13,19,21H,10-11H2,1-2H3.
What are the key properties of N-[5-(3-cyanophenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
N-[5-(3-cyanophenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide has a molecular weight of 340.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyanophenyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 11617056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).