N-[6-(diethylamino)pyridazin-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide

C17H21N5O3S — CID 113044066

IUPACN-[6-(diethylamino)pyridazin-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)nn1
InChIInChI=1S/C17H21N5O3S/c1-4-22(5-2)16-9-8-15(18-19-16)20-26(24,25)13-6-7-14-12(10-13)11-17(23)21(14)3/h6-10H,4-5,11H2,1-3H3,(H,18,20)
InChIKeyIOPWCZBJXQWHAR-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.64
Rot. Bonds6

About N-[6-(diethylamino)pyridazin-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide

N-[6-(diethylamino)pyridazin-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (PubChem CID 113044066) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[6-(diethylamino)pyridazin-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[6-(diethylamino)pyridazin-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
PubChem CID113044066
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC NameN-[6-(diethylamino)pyridazin-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
SMILESCCN(CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)nn1
InChIInChI=1S/C17H21N5O3S/c1-4-22(5-2)16-9-8-15(18-19-16)20-26(24,25)13-6-7-14-12(10-13)11-17(23)21(14)3/h6-10H,4-5,11H2,1-3H3,(H,18,20)
InChIKeyIOPWCZBJXQWHAR-UHFFFAOYSA-N
XLogP1.64
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-2-oxo-N-[6-(pentylamino)pyridazin-3-yl]-3H-indole-5-sulfonamide
CID 113044741
N-[2-(diethylamino)propyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 112502246
1-methyl-2-oxo-N-pyrimidin-2-yl-3H-indole-5-sulfonamide
CID 110756701
N-[6-(butylamino)-3-pyridinyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 113009560
N-[(1-ethylcyclopropyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 126815166
N-[2-(ethylamino)ethyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 62664588
N-(4-tert-butylphenyl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417077
N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 25417411
N-[(4-ethylphenyl)methyl]-1-methyl-2-oxo-3H-indole-5-sulfonamide
CID 110779553
1-methyl-2-oxo-N-(2-pyrrol-1-ylethyl)-3H-indole-5-sulfonamide
CID 110716372
3,4-dimethyl-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570723
2-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonylamino]oxyacetamide
CID 115992115

Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)pyridazin-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The IUPAC name of N-[6-(diethylamino)pyridazin-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide (CID 113044066) is N-[6-(diethylamino)pyridazin-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide.
What is the SMILES notation for N-[6-(diethylamino)pyridazin-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The canonical SMILES for N-[6-(diethylamino)pyridazin-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is CCN(CC)c1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)nn1.
What is the InChIKey of N-[6-(diethylamino)pyridazin-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
The InChIKey is IOPWCZBJXQWHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-4-22(5-2)16-9-8-15(18-19-16)20-26(24,25)13-6-7-14-12(10-13)11-17(23)21(14)3/h6-10H,4-5,11H2,1-3H3,(H,18,20).
What are the key properties of N-[6-(diethylamino)pyridazin-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide?
N-[6-(diethylamino)pyridazin-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide has a molecular weight of 375.45 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)pyridazin-3-yl]-1-methyl-2-oxo-3H-indole-5-sulfonamide is sourced from PubChem (CID 113044066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).