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

C18H19N3O2S — CID 11522969

IUPACN-[5-(5-cyano-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1Cc2ccc(-c3cncc(C#N)c3)cc2C1
InChIInChI=1S/C18H19N3O2S/c1-12(2)24(22,23)21-18-7-15-4-3-14(6-16(15)8-18)17-5-13(9-19)10-20-11-17/h3-6,10-12,18,21H,7-8H2,1-2H3
InChIKeyKGEABTFMCTZXTF-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.42
Rot. Bonds4

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

N-[5-(5-cyano-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (PubChem CID 11522969) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[5-(5-cyano-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(5-cyano-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
PubChem CID11522969
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[5-(5-cyano-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1Cc2ccc(-c3cncc(C#N)c3)cc2C1
InChIInChI=1S/C18H19N3O2S/c1-12(2)24(22,23)21-18-7-15-4-3-14(6-16(15)8-18)17-5-13(9-19)10-20-11-17/h3-6,10-12,18,21H,7-8H2,1-2H3
InChIKeyKGEABTFMCTZXTF-UHFFFAOYSA-N
XLogP2.42
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2s)-5-(6-Fluoro-3-Pyridinyl)-2,3-Dihydro-1h-Inden-2-Yl]-2-Propanesulfonamide
CID 46398805
n-[5-(2,6-Dimethyl-3-pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide
CID 11515728
n-[5-(5-Methyl-2-pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide
CID 11566130
n-[5-(5-Chloro-2-pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide
CID 11566489
N-[5-(5-fluoro-2-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 11573549
n-[5-(3-Pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide
CID 11580514
2-Propanesulfonamide, N-[(2S)-2,3-dihydro-5-(6-methyl-3-pyridinyl)-1H-inden-2-yl]-
CID 11688520
2-Propanesulfonamide,N-[(2S)-2,3-dihydro-5-(6-methyl-3-pyridinyl)-1H-inden-2-yl]-
CID 46900138
n-[(2s)-5-(5-Fluoro-2-pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide
CID 46900139
N-(5-(6-Fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl)-2-propanesulfonamide
CID 11544537
N-[5-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide
CID 11638499
n-[5-(3-Methyl-2-pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide
CID 11638500

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-cyano-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[5-(5-cyano-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (CID 11522969) is N-[5-(5-cyano-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-(5-cyano-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[5-(5-cyano-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1Cc2ccc(-c3cncc(C#N)c3)cc2C1.
What is the InChIKey of N-[5-(5-cyano-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The InChIKey is KGEABTFMCTZXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12(2)24(22,23)21-18-7-15-4-3-14(6-16(15)8-18)17-5-13(9-19)10-20-11-17/h3-6,10-12,18,21H,7-8H2,1-2H3.
What are the key properties of N-[5-(5-cyano-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
N-[5-(5-cyano-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide has a molecular weight of 341.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-cyano-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 11522969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).