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

C18H23N5O3S — CID 113044741

IUPAC1-methyl-2-oxo-N-[6-(pentylamino)pyridazin-3-yl]-3H-indole-5-sulfonamide
SMILESCCCCCNc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)nn1
InChIInChI=1S/C18H23N5O3S/c1-3-4-5-10-19-16-8-9-17(21-20-16)22-27(25,26)14-6-7-15-13(11-14)12-18(24)23(15)2/h6-9,11H,3-5,10,12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyMEIOTFNMPNVKGV-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.40
Rot. Bonds8

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

1-methyl-2-oxo-N-[6-(pentylamino)pyridazin-3-yl]-3H-indole-5-sulfonamide (PubChem CID 113044741) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[6-(pentylamino)pyridazin-3-yl]-3H-indole-5-sulfonamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[6-(pentylamino)pyridazin-3-yl]-3H-indole-5-sulfonamide
PubChem CID113044741
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name1-methyl-2-oxo-N-[6-(pentylamino)pyridazin-3-yl]-3H-indole-5-sulfonamide
SMILESCCCCCNc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)nn1
InChIInChI=1S/C18H23N5O3S/c1-3-4-5-10-19-16-8-9-17(21-20-16)22-27(25,26)14-6-7-15-13(11-14)12-18(24)23(15)2/h6-9,11H,3-5,10,12H2,1-2H3,(H,19,20)(H,21,22)
InChIKeyMEIOTFNMPNVKGV-UHFFFAOYSA-N
XLogP2.40
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-methyl-2-oxo-N-[6-(pentylamino)pyridazin-3-yl]-3H-indole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-((4-(indolin-1-yl)-4-oxobutyl)thio)pyridazin-3-yl)acetamide
CID 42173104
4-(N,N-dimethylsulfamoyl)-N-(2-((6-methylpyridazin-3-yl)amino)ethyl)benzamide
CID 45502509
N-(1-ethyl-3-methyl-1H-pyrazol-5-yl)-1,3,3-trimethyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide
CID 52422865
1-(5-((4-(6-(4-Fluorophenyl)pyridazin-3-yl)piperazin-1-yl)sulfonyl)indolin-1-yl)ethanone
CID 25839304
N-(4-(6-(azepan-1-yl)pyridazin-3-yl)phenyl)-1-(2,2,2-trifluoroacetyl)indoline-5-sulfonamide
CID 45508049
N-(4-(6-(azepan-1-yl)pyridazin-3-yl)phenyl)-2-methyl-1-(2,2,2-trifluoroacetyl)indoline-5-sulfonamide
CID 45508050
N-(4-(6-(pyrrolidin-1-yl)pyridazin-3-yl)phenyl)-1-(2,2,2-trifluoroacetyl)indoline-5-sulfonamide
CID 45508081
2-methyl-N-(4-(6-(pyrrolidin-1-yl)pyridazin-3-yl)phenyl)-1-(2,2,2-trifluoroacetyl)indoline-5-sulfonamide
CID 45508082
N-(4-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)-1-(2,2,2-trifluoroacetyl)indoline-5-sulfonamide
CID 45508118
2-methyl-N-(4-(6-(piperidin-1-yl)pyridazin-3-yl)phenyl)-1-(2,2,2-trifluoroacetyl)indoline-5-sulfonamide
CID 45508119
N-(4-(6-(4-methylpiperidin-1-yl)pyridazin-3-yl)phenyl)-1-(2,2,2-trifluoroacetyl)indoline-5-sulfonamide
CID 45508153
2-methyl-N-(4-(6-(4-methylpiperidin-1-yl)pyridazin-3-yl)phenyl)-1-(2,2,2-trifluoroacetyl)indoline-5-sulfonamide
CID 45508154

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[6-(pentylamino)pyridazin-3-yl]-3H-indole-5-sulfonamide?
The IUPAC name of 1-methyl-2-oxo-N-[6-(pentylamino)pyridazin-3-yl]-3H-indole-5-sulfonamide (CID 113044741) is 1-methyl-2-oxo-N-[6-(pentylamino)pyridazin-3-yl]-3H-indole-5-sulfonamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[6-(pentylamino)pyridazin-3-yl]-3H-indole-5-sulfonamide?
The canonical SMILES for 1-methyl-2-oxo-N-[6-(pentylamino)pyridazin-3-yl]-3H-indole-5-sulfonamide is CCCCCNc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)nn1.
What is the InChIKey of 1-methyl-2-oxo-N-[6-(pentylamino)pyridazin-3-yl]-3H-indole-5-sulfonamide?
The InChIKey is MEIOTFNMPNVKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-3-4-5-10-19-16-8-9-17(21-20-16)22-27(25,26)14-6-7-15-13(11-14)12-18(24)23(15)2/h6-9,11H,3-5,10,12H2,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 1-methyl-2-oxo-N-[6-(pentylamino)pyridazin-3-yl]-3H-indole-5-sulfonamide?
1-methyl-2-oxo-N-[6-(pentylamino)pyridazin-3-yl]-3H-indole-5-sulfonamide has a molecular weight of 389.48 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[6-(pentylamino)pyridazin-3-yl]-3H-indole-5-sulfonamide is sourced from PubChem (CID 113044741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).