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

C19H24N2O2S — CID 11515728

IUPACN-[5-(2,6-dimethyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCc1ccc(-c2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)c(C)n1
InChIInChI=1S/C19H24N2O2S/c1-12(2)24(22,23)21-18-10-15-6-7-16(9-17(15)11-18)19-8-5-13(3)20-14(19)4/h5-9,12,18,21H,10-11H2,1-4H3
InChIKeySAJCBJSFCCCGCI-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.16
Rot. Bonds4

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

N-[5-(2,6-dimethyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (PubChem CID 11515728) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[5-(2,6-dimethyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(2,6-dimethyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
PubChem CID11515728
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC NameN-[5-(2,6-dimethyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
SMILESCc1ccc(-c2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)c(C)n1
InChIInChI=1S/C19H24N2O2S/c1-12(2)24(22,23)21-18-10-15-6-7-16(9-17(15)11-18)19-8-5-13(3)20-14(19)4/h5-9,12,18,21H,10-11H2,1-4H3
InChIKeySAJCBJSFCCCGCI-UHFFFAOYSA-N
XLogP3.16
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-dimethyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[5-(2,6-dimethyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide (CID 11515728) is N-[5-(2,6-dimethyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-(2,6-dimethyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[5-(2,6-dimethyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is Cc1ccc(-c2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)c(C)n1.
What is the InChIKey of N-[5-(2,6-dimethyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
The InChIKey is SAJCBJSFCCCGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-12(2)24(22,23)21-18-10-15-6-7-16(9-17(15)11-18)19-8-5-13(3)20-14(19)4/h5-9,12,18,21H,10-11H2,1-4H3.
What are the key properties of N-[5-(2,6-dimethyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide?
N-[5-(2,6-dimethyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide has a molecular weight of 344.48 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-dimethyl-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 11515728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).