6-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]pyridazin-3-amine

C20H18N4O2S — CID 27375773

IUPAC6-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]pyridazin-3-amine
SMILESO=S(=O)(c1ccccc1)c1ccc(NCCc2c[nH]c3ccccc23)nn1
InChIInChI=1S/C20H18N4O2S/c25-27(26,16-6-2-1-3-7-16)20-11-10-19(23-24-20)21-13-12-15-14-22-18-9-5-4-8-17(15)18/h1-11,14,22H,12-13H2,(H,21,23)
InChIKeyCXSVXXMNWDARBX-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.45
Rot. Bonds6

About 6-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]pyridazin-3-amine

6-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]pyridazin-3-amine (PubChem CID 27375773) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]pyridazin-3-amine
PubChem CID27375773
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name6-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]pyridazin-3-amine
SMILESO=S(=O)(c1ccccc1)c1ccc(NCCc2c[nH]c3ccccc23)nn1
InChIInChI=1S/C20H18N4O2S/c25-27(26,16-6-2-1-3-7-16)20-11-10-19(23-24-20)21-13-12-15-14-22-18-9-5-4-8-17(15)18/h1-11,14,22H,12-13H2,(H,21,23)
InChIKeyCXSVXXMNWDARBX-UHFFFAOYSA-N
XLogP3.45
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chlorophenyl)sulfonyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridazin-3-amine
CID 53006760
2-(1H-indol-3-yl)-N-[6-(2-phenylethylamino)pyridazin-3-yl]acetamide
CID 113042337
4-fluoro-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]benzamide
CID 113043194
2-ethyl-N-[6-[2-(1H-indol-3-yl)ethylamino]pyridazin-3-yl]butanamide
CID 113043185
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
N-[2-(1H-indol-3-yl)ethyl]-2H-triazol-4-amine
CID 54260739
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
5-(aminomethyl)-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine
CID 95471746
3-[2-(1H-indol-3-yl)ethylamino]naphthalene-2-carboxylic acid
CID 171034152
N-[2-(1H-indol-3-yl)ethyl]-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112884031
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methylphenyl)sulfonyltriazolo[1,5-a]quinazolin-5-amine
CID 20878461
2-chloro-N-[2-(1H-indol-3-yl)ethyl]aniline
CID 171397349

Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]pyridazin-3-amine?
The IUPAC name of 6-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]pyridazin-3-amine (CID 27375773) is 6-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]pyridazin-3-amine.
What is the SMILES notation for 6-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]pyridazin-3-amine?
The canonical SMILES for 6-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]pyridazin-3-amine is O=S(=O)(c1ccccc1)c1ccc(NCCc2c[nH]c3ccccc23)nn1.
What is the InChIKey of 6-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]pyridazin-3-amine?
The InChIKey is CXSVXXMNWDARBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c25-27(26,16-6-2-1-3-7-16)20-11-10-19(23-24-20)21-13-12-15-14-22-18-9-5-4-8-17(15)18/h1-11,14,22H,12-13H2,(H,21,23).
What are the key properties of 6-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]pyridazin-3-amine?
6-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]pyridazin-3-amine has a molecular weight of 378.46 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 27375773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).