6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]pyridine-3-sulfonamide

C15H17N3O2S — CID 126812918

IUPAC6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]pyridine-3-sulfonamide
SMILESCN(c1ccc(S(N)(=O)=O)cn1)C1Cc2ccccc2C1
InChIInChI=1S/C15H17N3O2S/c1-18(13-8-11-4-2-3-5-12(11)9-13)15-7-6-14(10-17-15)21(16,19)20/h2-7,10,13H,8-9H2,1H3,(H2,16,19,20)
InChIKeyQSLJTAVTHTUDMP-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.33
Rot. Bonds3

About 6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]pyridine-3-sulfonamide

6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]pyridine-3-sulfonamide (PubChem CID 126812918) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]pyridine-3-sulfonamide
PubChem CID126812918
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]pyridine-3-sulfonamide
SMILESCN(c1ccc(S(N)(=O)=O)cn1)C1Cc2ccccc2C1
InChIInChI=1S/C15H17N3O2S/c1-18(13-8-11-4-2-3-5-12(11)9-13)15-7-6-14(10-17-15)21(16,19)20/h2-7,10,13H,8-9H2,1H3,(H2,16,19,20)
InChIKeyQSLJTAVTHTUDMP-UHFFFAOYSA-N
XLogP1.33
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]pyridine-3-sulfonamide?
The IUPAC name of 6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]pyridine-3-sulfonamide (CID 126812918) is 6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]pyridine-3-sulfonamide?
The canonical SMILES for 6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]pyridine-3-sulfonamide is CN(c1ccc(S(N)(=O)=O)cn1)C1Cc2ccccc2C1.
What is the InChIKey of 6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]pyridine-3-sulfonamide?
The InChIKey is QSLJTAVTHTUDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-18(13-8-11-4-2-3-5-12(11)9-13)15-7-6-14(10-17-15)21(16,19)20/h2-7,10,13H,8-9H2,1H3,(H2,16,19,20).
What are the key properties of 6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]pyridine-3-sulfonamide?
6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]pyridine-3-sulfonamide has a molecular weight of 303.39 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,3-dihydro-1H-inden-2-yl(methyl)amino]pyridine-3-sulfonamide is sourced from PubChem (CID 126812918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).