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

C16H19N3O2S — CID 11602149

IUPACN-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1Cc2ccc(-c3ncccn3)cc2C1
InChIInChI=1S/C16H19N3O2S/c1-11(2)22(20,21)19-15-9-12-4-5-13(8-14(12)10-15)16-17-6-3-7-18-16/h3-8,11,15,19H,9-10H2,1-2H3
InChIKeyJELPKIQVHPKBTJ-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.94
Rot. Bonds4

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

N-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide (PubChem CID 11602149) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide
PubChem CID11602149
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1Cc2ccc(-c3ncccn3)cc2C1
InChIInChI=1S/C16H19N3O2S/c1-11(2)22(20,21)19-15-9-12-4-5-13(8-14(12)10-15)16-17-6-3-7-18-16/h3-8,11,15,19H,9-10H2,1-2H3
InChIKeyJELPKIQVHPKBTJ-UHFFFAOYSA-N
XLogP1.94
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 11638501
N-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 11681775
N-[5-[(2-chloro-3-pyridinyl)oxymethyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 88851219
N-[(2S)-5-(pyridin-4-ylmethoxy)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;hydrochloride
CID 131729713
N-[(2S)-5-(phenoxymethyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 141275724
N-[5-[3-(aminomethyl)phenyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;N-[5-[3-(methanesulfonamidomethyl)phenyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 69349963
N-[[(2S)-5-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl]methyl]propane-2-sulfonamide
CID 163973001
N-[5-(2-fluoro-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 68569807
N-[(2S)-5-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 25014498
1,1'-biphenyl;N-(oxan-4-yl)propane-2-sulfonamide
CID 143967417
N-cyclodecylpropane-2-sulfonamide
CID 131977128
2-methylpropane;2-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 158374042

Frequently Asked Questions

What is the IUPAC name of N-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide?
The IUPAC name of N-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide (CID 11602149) is N-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide?
The canonical SMILES for N-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1Cc2ccc(-c3ncccn3)cc2C1.
What is the InChIKey of N-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide?
The InChIKey is JELPKIQVHPKBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11(2)22(20,21)19-15-9-12-4-5-13(8-14(12)10-15)16-17-6-3-7-18-16/h3-8,11,15,19H,9-10H2,1-2H3.
What are the key properties of N-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide?
N-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide has a molecular weight of 317.41 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide is sourced from PubChem (CID 11602149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).