N-[5-(6-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

C18H22N2O2S — CID 11688520

IUPACN-[5-(6-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCc1ccc(-c2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)cn1
InChIInChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-18-9-15-7-6-14(8-17(15)10-18)16-5-4-13(3)19-11-16/h4-8,11-12,18,20H,9-10H2,1-3H3
InChIKeyOCJKHBCJMIOPJS-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.85
Rot. Bonds4

About N-[5-(6-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide

N-[5-(6-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (PubChem CID 11688520) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is N-[5-(6-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(6-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
PubChem CID11688520
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC NameN-[5-(6-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCc1ccc(-c2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)cn1
InChIInChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-18-9-15-7-6-14(8-17(15)10-18)16-5-4-13(3)19-11-16/h4-8,11-12,18,20H,9-10H2,1-3H3
InChIKeyOCJKHBCJMIOPJS-UHFFFAOYSA-N
XLogP2.85
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2s)-5-(6-Fluoro-3-Pyridinyl)-2,3-Dihydro-1h-Inden-2-Yl]-2-Propanesulfonamide
CID 46398805
2,4,5-trimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 802956
n-[5-(2,6-Dimethyl-3-pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide
CID 11515728
n-[5-(5-Cyano-3-pyridinyl)-2,3-dihydro-1h-inden-2-yl]-2-propanesulfonamide
CID 11522969
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
N-((3R,4R)-4-(4-(6-fluoropyridin-3-yl)phenyl)-1-methylpyrrolidin-3-yl)propane-2-sulfonamide
CID 11632254
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
1-[1-(Butylsulfonyl)-5-phenyl-1H-pyrrol-3-yl]-N-methylmethanamine
CID 66924931

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[5-(6-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (CID 11688520) is N-[5-(6-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-(6-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[5-(6-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is Cc1ccc(-c2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)cn1.
What is the InChIKey of N-[5-(6-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The InChIKey is OCJKHBCJMIOPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-18-9-15-7-6-14(8-17(15)10-18)16-5-4-13(3)19-11-16/h4-8,11-12,18,20H,9-10H2,1-3H3.
What are the key properties of N-[5-(6-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
N-[5-(6-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide has a molecular weight of 330.45 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-methyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 11688520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).