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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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).