5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]methyl]-3-methyl-1H-pyridazin-6-one

C20H19N3O3S — CID 46270700

IUPAC5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]methyl]-3-methyl-1H-pyridazin-6-one
SMILESCc1cc(Cc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c(=O)[nH]n1
InChIInChI=1S/C20H19N3O3S/c1-14-12-17(20(24)22-21-14)13-15-6-8-18(9-7-15)27(25,26)23-11-10-16-4-2-3-5-19(16)23/h2-9,12H,10-11,13H2,1H3,(H,22,24)
InChIKeyUWUGUHDRTPUKTN-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.42
Rot. Bonds4

About 5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]methyl]-3-methyl-1H-pyridazin-6-one

5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]methyl]-3-methyl-1H-pyridazin-6-one (PubChem CID 46270700) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]methyl]-3-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]methyl]-3-methyl-1H-pyridazin-6-one
PubChem CID46270700
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]methyl]-3-methyl-1H-pyridazin-6-one
SMILESCc1cc(Cc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c(=O)[nH]n1
InChIInChI=1S/C20H19N3O3S/c1-14-12-17(20(24)22-21-14)13-15-6-8-18(9-7-15)27(25,26)23-11-10-16-4-2-3-5-19(16)23/h2-9,12H,10-11,13H2,1H3,(H,22,24)
InChIKeyUWUGUHDRTPUKTN-UHFFFAOYSA-N
XLogP2.42
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-(azepan-1-ylsulfonyl)phenyl]methyl]-3-methyl-1H-pyridazin-6-one
CID 46270699
3-methyl-5-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-pyridazin-6-one
CID 46270732
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
CID 43332089
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
CID 134034304
1-(3-methylphenyl)sulfonyl-2,3-dihydroindole
CID 5010201
3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2H-phthalazine-1,4-dione
CID 22432827
ethyl (3S)-1-[4-[(3-methyl-6-oxo-1H-pyridazin-5-yl)methyl]phenyl]sulfonylpiperidine-3-carboxylate
CID 92902481
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2,3-dihydroindole
CID 866895
1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097
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
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]methyl]-3-methyl-1H-pyridazin-6-one?
The IUPAC name of 5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]methyl]-3-methyl-1H-pyridazin-6-one (CID 46270700) is 5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]methyl]-3-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]methyl]-3-methyl-1H-pyridazin-6-one?
The canonical SMILES for 5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]methyl]-3-methyl-1H-pyridazin-6-one is Cc1cc(Cc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c(=O)[nH]n1.
What is the InChIKey of 5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]methyl]-3-methyl-1H-pyridazin-6-one?
The InChIKey is UWUGUHDRTPUKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-14-12-17(20(24)22-21-14)13-15-6-8-18(9-7-15)27(25,26)23-11-10-16-4-2-3-5-19(16)23/h2-9,12H,10-11,13H2,1H3,(H,22,24).
What are the key properties of 5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]methyl]-3-methyl-1H-pyridazin-6-one?
5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]methyl]-3-methyl-1H-pyridazin-6-one has a molecular weight of 381.46 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]methyl]-3-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 46270700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).