1-acetyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]-2,3-dihydroindole-5-sulfonamide

C17H19N5O3S — CID 113038294

IUPAC1-acetyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]-2,3-dihydroindole-5-sulfonamide
SMILESC=CCNc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)nn1
InChIInChI=1S/C17H19N5O3S/c1-3-9-18-16-6-7-17(20-19-16)21-26(24,25)14-4-5-15-13(11-14)8-10-22(15)12(2)23/h3-7,11H,1,8-10H2,2H3,(H,18,19)(H,20,21)
InChIKeyMSDQPWPFSRAISE-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.78
Rot. Bonds6

About 1-acetyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 113038294) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 1-acetyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]-2,3-dihydroindole-5-sulfonamide
PubChem CID113038294
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name1-acetyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]-2,3-dihydroindole-5-sulfonamide
SMILESC=CCNc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)nn1
InChIInChI=1S/C17H19N5O3S/c1-3-9-18-16-6-7-17(20-19-16)21-26(24,25)14-4-5-15-13(11-14)8-10-22(15)12(2)23/h3-7,11H,1,8-10H2,2H3,(H,18,19)(H,20,21)
InChIKeyMSDQPWPFSRAISE-UHFFFAOYSA-N
XLogP1.78
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113038296
1-acetyl-N-[5-(diethylamino)-2-pyridinyl]-2,3-dihydroindole-5-sulfonamide
CID 113029784
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide
CID 166596719
2-oxo-N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-dihydroindole-5-sulfonamide
CID 113038293
1-acetyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 112504860
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]phenyl]acetamide
CID 40687880
1-acetyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 112990869
1-acetyl-N-(4-butan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 24509967
1-acetyl-N-(2,5-dichlorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 3164268
(1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide
CID 117038028

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]-2,3-dihydroindole-5-sulfonamide (CID 113038294) is 1-acetyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]-2,3-dihydroindole-5-sulfonamide is C=CCNc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)nn1.
What is the InChIKey of 1-acetyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is MSDQPWPFSRAISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-3-9-18-16-6-7-17(20-19-16)21-26(24,25)14-4-5-15-13(11-14)8-10-22(15)12(2)23/h3-7,11H,1,8-10H2,2H3,(H,18,19)(H,20,21).
What are the key properties of 1-acetyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 373.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[6-(prop-2-enylamino)pyridazin-3-yl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 113038294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).