6-(4-chlorophenyl)sulfonyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridazin-3-amine

C21H19ClN4O3S — CID 53006760

IUPAC6-(4-chlorophenyl)sulfonyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridazin-3-amine
SMILESCOc1ccc2[nH]cc(CCNc3ccc(S(=O)(=O)c4ccc(Cl)cc4)nn3)c2c1
InChIInChI=1S/C21H19ClN4O3S/c1-29-16-4-7-19-18(12-16)14(13-24-19)10-11-23-20-8-9-21(26-25-20)30(27,28)17-5-2-15(22)3-6-17/h2-9,12-13,24H,10-11H2,1H3,(H,23,25)
InChIKeyMKFYUESXBQVBGQ-UHFFFAOYSA-N
MW442.93 g/mol
LogP4.11
Rot. Bonds7

About 6-(4-chlorophenyl)sulfonyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridazin-3-amine

6-(4-chlorophenyl)sulfonyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridazin-3-amine (PubChem CID 53006760) has the molecular formula C21H19ClN4O3S and a molecular weight of 442.93 g/mol. Its IUPAC name is 6-(4-chlorophenyl)sulfonyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)sulfonyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridazin-3-amine
PubChem CID53006760
Molecular FormulaC21H19ClN4O3S
Molecular Weight442.93 g/mol
Exact Mass442.09
IUPAC Name6-(4-chlorophenyl)sulfonyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridazin-3-amine
SMILESCOc1ccc2[nH]cc(CCNc3ccc(S(=O)(=O)c4ccc(Cl)cc4)nn3)c2c1
InChIInChI=1S/C21H19ClN4O3S/c1-29-16-4-7-19-18(12-16)14(13-24-19)10-11-23-20-8-9-21(26-25-20)30(27,28)17-5-2-15(22)3-6-17/h2-9,12-13,24H,10-11H2,1H3,(H,23,25)
InChIKeyMKFYUESXBQVBGQ-UHFFFAOYSA-N
XLogP4.11
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.93
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]pyridazin-3-amine
CID 27375773
3,4-dichloro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 6733520
4-chloro-N-[(5-methoxy-1H-indol-3-yl)methyl]benzenesulfonamide
CID 169029431
5-chloro-2-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 113083673
[6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135100266
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-nitrobenzenesulfonamide
CID 17271743
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 142888234
4-amino-3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-methyl-1,2,4-triazin-5-one
CID 4979636
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
(3R)-1-(4-chlorophenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 7337211
3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-[(4-propan-2-ylphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 135399573
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide
CID 131951038

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)sulfonyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridazin-3-amine?
The IUPAC name of 6-(4-chlorophenyl)sulfonyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridazin-3-amine (CID 53006760) is 6-(4-chlorophenyl)sulfonyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridazin-3-amine.
What is the SMILES notation for 6-(4-chlorophenyl)sulfonyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridazin-3-amine?
The canonical SMILES for 6-(4-chlorophenyl)sulfonyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridazin-3-amine is COc1ccc2[nH]cc(CCNc3ccc(S(=O)(=O)c4ccc(Cl)cc4)nn3)c2c1.
What is the InChIKey of 6-(4-chlorophenyl)sulfonyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridazin-3-amine?
The InChIKey is MKFYUESXBQVBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3S/c1-29-16-4-7-19-18(12-16)14(13-24-19)10-11-23-20-8-9-21(26-25-20)30(27,28)17-5-2-15(22)3-6-17/h2-9,12-13,24H,10-11H2,1H3,(H,23,25).
What are the key properties of 6-(4-chlorophenyl)sulfonyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridazin-3-amine?
6-(4-chlorophenyl)sulfonyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridazin-3-amine has a molecular weight of 442.93 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)sulfonyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridazin-3-amine is sourced from PubChem (CID 53006760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).