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

C18H21ClN2O3S — CID 88851219

IUPACN-[5-[(2-chloro-3-pyridinyl)oxymethyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1Cc2ccc(COc3cccnc3Cl)cc2C1
InChIInChI=1S/C18H21ClN2O3S/c1-12(2)25(22,23)21-16-9-14-6-5-13(8-15(14)10-16)11-24-17-4-3-7-20-18(17)19/h3-8,12,16,21H,9-11H2,1-2H3
InChIKeyYYXUFPLPAUEONF-UHFFFAOYSA-N
MW380.90 g/mol
LogP3.11
Rot. Bonds6

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

N-[5-[(2-chloro-3-pyridinyl)oxymethyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (PubChem CID 88851219) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-[5-[(2-chloro-3-pyridinyl)oxymethyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[(2-chloro-3-pyridinyl)oxymethyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
PubChem CID88851219
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-[5-[(2-chloro-3-pyridinyl)oxymethyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1Cc2ccc(COc3cccnc3Cl)cc2C1
InChIInChI=1S/C18H21ClN2O3S/c1-12(2)25(22,23)21-16-9-14-6-5-13(8-15(14)10-16)11-24-17-4-3-7-20-18(17)19/h3-8,12,16,21H,9-11H2,1-2H3
InChIKeyYYXUFPLPAUEONF-UHFFFAOYSA-N
XLogP3.11
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-5-(phenoxymethyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 141275724
N-[(2S)-5-(pyridin-4-ylmethoxy)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide;hydrochloride
CID 131729713
N-(5-pyrimidin-2-yl-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide
CID 11602149
N-[5-[(2-chlorophenoxy)methyl]-2,3-dihydro-1H-inden-1-yl]propane-2-sulfonamide
CID 70223409
N-[[(2S)-5-[(2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-2-yl]methyl]propane-2-sulfonamide
CID 163973001
2-chloro-3-[(4-iodophenyl)methoxy]pyridine
CID 65476581
2-chloro-3-[(3,5-difluorophenyl)methoxy]pyridine
CID 105403621
N-[(2S)-5-(5-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 11638501
2-chloro-3-(methoxymethoxy)pyridine
CID 57430080
N-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 11681775
3-butan-2-yloxy-2-chloropyridine
CID 65102026
3-ethyl-1-[[(2S)-2-(propan-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 67088083

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chloro-3-pyridinyl)oxymethyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[5-[(2-chloro-3-pyridinyl)oxymethyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (CID 88851219) is N-[5-[(2-chloro-3-pyridinyl)oxymethyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-[(2-chloro-3-pyridinyl)oxymethyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[5-[(2-chloro-3-pyridinyl)oxymethyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1Cc2ccc(COc3cccnc3Cl)cc2C1.
What is the InChIKey of N-[5-[(2-chloro-3-pyridinyl)oxymethyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The InChIKey is YYXUFPLPAUEONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-12(2)25(22,23)21-16-9-14-6-5-13(8-15(14)10-16)11-24-17-4-3-7-20-18(17)19/h3-8,12,16,21H,9-11H2,1-2H3.
What are the key properties of N-[5-[(2-chloro-3-pyridinyl)oxymethyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
N-[5-[(2-chloro-3-pyridinyl)oxymethyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide has a molecular weight of 380.90 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chloro-3-pyridinyl)oxymethyl]-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 88851219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).