N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide

C21H22N4O2S — CID 113046101

IUPACN-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(N3CCc4ccccc43)nn2)cc1
InChIInChI=1S/C21H22N4O2S/c1-15(2)16-7-9-18(10-8-16)28(26,27)24-20-11-12-21(23-22-20)25-14-13-17-5-3-4-6-19(17)25/h3-12,15H,13-14H2,1-2H3,(H,22,24)
InChIKeyFLLBRYWMYWKBLT-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.09
Rot. Bonds5

About N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide

N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 113046101) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
PubChem CID113046101
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2ccc(N3CCc4ccccc43)nn2)cc1
InChIInChI=1S/C21H22N4O2S/c1-15(2)16-7-9-18(10-8-16)28(26,27)24-20-11-12-21(23-22-20)25-14-13-17-5-3-4-6-19(17)25/h3-12,15H,13-14H2,1-2H3,(H,22,24)
InChIKeyFLLBRYWMYWKBLT-UHFFFAOYSA-N
XLogP4.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide (CID 113046101) is N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2ccc(N3CCc4ccccc43)nn2)cc1.
What is the InChIKey of N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is FLLBRYWMYWKBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-15(2)16-7-9-18(10-8-16)28(26,27)24-20-11-12-21(23-22-20)25-14-13-17-5-3-4-6-19(17)25/h3-12,15H,13-14H2,1-2H3,(H,22,24).
What are the key properties of N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide?
N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 394.50 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dihydroindol-1-yl)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 113046101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).