N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide

C17H22N4O2S — CID 133304084

IUPACN-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCN2c3ccccc3CC2C)nc1
InChIInChI=1S/C17H22N4O2S/c1-13-11-14-5-3-4-6-16(14)21(13)10-9-19-17-8-7-15(12-20-17)24(22,23)18-2/h3-8,12-13,18H,9-11H2,1-2H3,(H,19,20)
InChIKeyKBEVRANWXUBOLQ-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.85
Rot. Bonds6

About N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide

N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide (PubChem CID 133304084) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide
PubChem CID133304084
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCCN2c3ccccc3CC2C)nc1
InChIInChI=1S/C17H22N4O2S/c1-13-11-14-5-3-4-6-16(14)21(13)10-9-19-17-8-7-15(12-20-17)24(22,23)18-2/h3-8,12-13,18H,9-11H2,1-2H3,(H,19,20)
InChIKeyKBEVRANWXUBOLQ-UHFFFAOYSA-N
XLogP1.85
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide?
The IUPAC name of N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide (CID 133304084) is N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide.
What is the SMILES notation for N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide?
The canonical SMILES for N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(NCCN2c3ccccc3CC2C)nc1.
What is the InChIKey of N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide?
The InChIKey is KBEVRANWXUBOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-13-11-14-5-3-4-6-16(14)21(13)10-9-19-17-8-7-15(12-20-17)24(22,23)18-2/h3-8,12-13,18H,9-11H2,1-2H3,(H,19,20).
What are the key properties of N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide?
N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide has a molecular weight of 346.46 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[2-(2-methyl-2,3-dihydroindol-1-yl)ethylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 133304084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).