1-quinolin-5-ylsulfonyl-2,3-dihydroindene-1-carboxamide

C19H16N2O3S — CID 135310068

IUPAC1-quinolin-5-ylsulfonyl-2,3-dihydroindene-1-carboxamide
SMILESNC(=O)C1(S(=O)(=O)c2cccc3ncccc23)CCc2ccccc21
InChIInChI=1S/C19H16N2O3S/c20-18(22)19(11-10-13-5-1-2-7-15(13)19)25(23,24)17-9-3-8-16-14(17)6-4-12-21-16/h1-9,12H,10-11H2,(H2,20,22)
InChIKeyWYKRLMJMVKMLOV-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.34
Rot. Bonds3

About 1-quinolin-5-ylsulfonyl-2,3-dihydroindene-1-carboxamide

1-quinolin-5-ylsulfonyl-2,3-dihydroindene-1-carboxamide (PubChem CID 135310068) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 1-quinolin-5-ylsulfonyl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name1-quinolin-5-ylsulfonyl-2,3-dihydroindene-1-carboxamide
PubChem CID135310068
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name1-quinolin-5-ylsulfonyl-2,3-dihydroindene-1-carboxamide
SMILESNC(=O)C1(S(=O)(=O)c2cccc3ncccc23)CCc2ccccc21
InChIInChI=1S/C19H16N2O3S/c20-18(22)19(11-10-13-5-1-2-7-15(13)19)25(23,24)17-9-3-8-16-14(17)6-4-12-21-16/h1-9,12H,10-11H2,(H2,20,22)
InChIKeyWYKRLMJMVKMLOV-UHFFFAOYSA-N
XLogP2.34
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-quinolin-5-ylsulfonyl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of 1-quinolin-5-ylsulfonyl-2,3-dihydroindene-1-carboxamide (CID 135310068) is 1-quinolin-5-ylsulfonyl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for 1-quinolin-5-ylsulfonyl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for 1-quinolin-5-ylsulfonyl-2,3-dihydroindene-1-carboxamide is NC(=O)C1(S(=O)(=O)c2cccc3ncccc23)CCc2ccccc21.
What is the InChIKey of 1-quinolin-5-ylsulfonyl-2,3-dihydroindene-1-carboxamide?
The InChIKey is WYKRLMJMVKMLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c20-18(22)19(11-10-13-5-1-2-7-15(13)19)25(23,24)17-9-3-8-16-14(17)6-4-12-21-16/h1-9,12H,10-11H2,(H2,20,22).
What are the key properties of 1-quinolin-5-ylsulfonyl-2,3-dihydroindene-1-carboxamide?
1-quinolin-5-ylsulfonyl-2,3-dihydroindene-1-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-5-ylsulfonyl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 135310068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).