3-[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-3-yl]-1H-pyridazin-6-one

C16H13N3O3S2 — CID 53134895

IUPAC3-[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-3-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2csc(S(=O)(=O)N3CCc4ccccc43)c2)n[nH]1
InChIInChI=1S/C16H13N3O3S2/c20-15-6-5-13(17-18-15)12-9-16(23-10-12)24(21,22)19-8-7-11-3-1-2-4-14(11)19/h1-6,9-10H,7-8H2,(H,18,20)
InChIKeyAJMPBZXQFLXJKH-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.25
Rot. Bonds3

About 3-[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-3-yl]-1H-pyridazin-6-one

3-[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-3-yl]-1H-pyridazin-6-one (PubChem CID 53134895) has the molecular formula C16H13N3O3S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-3-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-3-yl]-1H-pyridazin-6-one
PubChem CID53134895
Molecular FormulaC16H13N3O3S2
Molecular Weight359.43 g/mol
Exact Mass359.04
IUPAC Name3-[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-3-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2csc(S(=O)(=O)N3CCc4ccccc43)c2)n[nH]1
InChIInChI=1S/C16H13N3O3S2/c20-15-6-5-13(17-18-15)12-9-16(23-10-12)24(21,22)19-8-7-11-3-1-2-4-14(11)19/h1-6,9-10H,7-8H2,(H,18,20)
InChIKeyAJMPBZXQFLXJKH-UHFFFAOYSA-N
XLogP2.25
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1H-pyridazin-6-one
CID 23611829
2-[5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)thiophen-3-yl]-5-ethyl-1,3,4-oxadiazole
CID 53127304
N-(cyclopropylmethyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53135082
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole
CID 866895
N-[(2-chlorophenyl)methyl]-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53134876
3-[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1H-pyridazin-6-one
CID 50763983
1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454424
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole chloride
CID 53314219
6-(2,3-dihydroindol-1-ylsulfonyl)-1,2,3,4-tetrahydroquinoline
CID 22692421
3-[5-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]thiophen-2-yl]-1H-pyridazin-6-one
CID 20970044
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]methyl]-3-methyl-1H-pyridazin-6-one
CID 46270700

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-3-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-3-yl]-1H-pyridazin-6-one (CID 53134895) is 3-[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-3-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-3-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-3-yl]-1H-pyridazin-6-one is O=c1ccc(-c2csc(S(=O)(=O)N3CCc4ccccc43)c2)n[nH]1.
What is the InChIKey of 3-[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-3-yl]-1H-pyridazin-6-one?
The InChIKey is AJMPBZXQFLXJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S2/c20-15-6-5-13(17-18-15)12-9-16(23-10-12)24(21,22)19-8-7-11-3-1-2-4-14(11)19/h1-6,9-10H,7-8H2,(H,18,20).
What are the key properties of 3-[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-3-yl]-1H-pyridazin-6-one?
3-[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-3-yl]-1H-pyridazin-6-one has a molecular weight of 359.43 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-3-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 53134895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).