5-methoxy-1-(4-methylphenyl)sulfonyl-2H-indazol-3-one

C15H14N2O4S — CID 110169571

IUPAC5-methoxy-1-(4-methylphenyl)sulfonyl-2H-indazol-3-one
SMILESCOc1ccc2c(c1)c(=O)[nH]n2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H14N2O4S/c1-10-3-6-12(7-4-10)22(19,20)17-14-8-5-11(21-2)9-13(14)15(18)16-17/h3-9H,1-2H3,(H,16,18)
InChIKeyJFEASNWIAMDZKS-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.88
Rot. Bonds3

About 5-methoxy-1-(4-methylphenyl)sulfonyl-2H-indazol-3-one

5-methoxy-1-(4-methylphenyl)sulfonyl-2H-indazol-3-one (PubChem CID 110169571) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 5-methoxy-1-(4-methylphenyl)sulfonyl-2H-indazol-3-one.

Molecular Properties

Compound Name5-methoxy-1-(4-methylphenyl)sulfonyl-2H-indazol-3-one
PubChem CID110169571
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name5-methoxy-1-(4-methylphenyl)sulfonyl-2H-indazol-3-one
SMILESCOc1ccc2c(c1)c(=O)[nH]n2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H14N2O4S/c1-10-3-6-12(7-4-10)22(19,20)17-14-8-5-11(21-2)9-13(14)15(18)16-17/h3-9H,1-2H3,(H,16,18)
InChIKeyJFEASNWIAMDZKS-UHFFFAOYSA-N
XLogP1.88
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-1-(4-methoxyphenyl)sulfonyl-2H-indazol-3-one
CID 110169575
3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole
CID 11339335
5-methoxy-1-(4-methylphenyl)sulfonylindole-3-carbaldehyde
CID 14403889
3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxy-1-(4-methylphenyl)sulfonylindole
CID 91016568
5-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-prop-2-enylindole
CID 71722470
5-methoxy-1-(4-methylphenyl)sulfonyl-3-[(4-methylpiperazin-1-yl)methyl]indole
CID 10024749
5-methoxy-1-(4-methylphenyl)sulfonyl-3-[(E)-2-nitroethenyl]indole
CID 102196401
9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole
CID 146530442
(2,10-dimethoxy-5,7-dioxobenzo[d][2]benzazepin-6-yl) 4-methylbenzenesulfonate
CID 118409335
2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine;hydrochloride
CID 21258548
3-(4-fluorophenyl)sulfonyl-6-methoxy-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2137140
methyl N-[[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]methyl]carbamate
CID 11538315

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(4-methylphenyl)sulfonyl-2H-indazol-3-one?
The IUPAC name of 5-methoxy-1-(4-methylphenyl)sulfonyl-2H-indazol-3-one (CID 110169571) is 5-methoxy-1-(4-methylphenyl)sulfonyl-2H-indazol-3-one.
What is the SMILES notation for 5-methoxy-1-(4-methylphenyl)sulfonyl-2H-indazol-3-one?
The canonical SMILES for 5-methoxy-1-(4-methylphenyl)sulfonyl-2H-indazol-3-one is COc1ccc2c(c1)c(=O)[nH]n2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 5-methoxy-1-(4-methylphenyl)sulfonyl-2H-indazol-3-one?
The InChIKey is JFEASNWIAMDZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-10-3-6-12(7-4-10)22(19,20)17-14-8-5-11(21-2)9-13(14)15(18)16-17/h3-9H,1-2H3,(H,16,18).
What are the key properties of 5-methoxy-1-(4-methylphenyl)sulfonyl-2H-indazol-3-one?
5-methoxy-1-(4-methylphenyl)sulfonyl-2H-indazol-3-one has a molecular weight of 318.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(4-methylphenyl)sulfonyl-2H-indazol-3-one is sourced from PubChem (CID 110169571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).