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

C15H14N2O5S — CID 110169575

IUPAC5-methoxy-1-(4-methoxyphenyl)sulfonyl-2H-indazol-3-one
SMILESCOc1ccc(S(=O)(=O)n2[nH]c(=O)c3cc(OC)ccc32)cc1
InChIInChI=1S/C15H14N2O5S/c1-21-10-3-6-12(7-4-10)23(19,20)17-14-8-5-11(22-2)9-13(14)15(18)16-17/h3-9H,1-2H3,(H,16,18)
InChIKeyMJFHWSREUYRUAP-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.58
Rot. Bonds4

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

5-methoxy-1-(4-methoxyphenyl)sulfonyl-2H-indazol-3-one (PubChem CID 110169575) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is 5-methoxy-1-(4-methoxyphenyl)sulfonyl-2H-indazol-3-one.

Molecular Properties

Compound Name5-methoxy-1-(4-methoxyphenyl)sulfonyl-2H-indazol-3-one
PubChem CID110169575
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC Name5-methoxy-1-(4-methoxyphenyl)sulfonyl-2H-indazol-3-one
SMILESCOc1ccc(S(=O)(=O)n2[nH]c(=O)c3cc(OC)ccc32)cc1
InChIInChI=1S/C15H14N2O5S/c1-21-10-3-6-12(7-4-10)23(19,20)17-14-8-5-11(22-2)9-13(14)15(18)16-17/h3-9H,1-2H3,(H,16,18)
InChIKeyMJFHWSREUYRUAP-UHFFFAOYSA-N
XLogP1.58
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-1-(4-methylphenyl)sulfonyl-2H-indazol-3-one
CID 110169571
9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole
CID 146530442
3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole
CID 11339335
6-methoxy-3-(4-methoxyphenyl)sulfonyl-1-methylquinolin-4-one
CID 18559299
5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-3-one
CID 10521372
5-methoxy-1-(4-methylphenyl)sulfonylindole-3-carbaldehyde
CID 14403889
6-methoxy-1-propan-2-yl-2H-indazol-3-one
CID 105458890
1-ethyl-6-methoxy-3-(4-methoxyphenyl)sulfonylquinolin-4-one
CID 20874609
1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107
3-chloro-5-methoxy-1-(4-methoxyphenyl)sulfonyl-2-[(4-methylpiperazin-1-yl)methyl]indole;hydrochloride
CID 142973250
1-(1H-benzimidazol-2-ylmethyl)-5-methoxy-2H-indazol-3-one
CID 10732532
4-[5-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)indol-1-yl]sulfonylaniline
CID 11361090

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(4-methoxyphenyl)sulfonyl-2H-indazol-3-one?
The IUPAC name of 5-methoxy-1-(4-methoxyphenyl)sulfonyl-2H-indazol-3-one (CID 110169575) is 5-methoxy-1-(4-methoxyphenyl)sulfonyl-2H-indazol-3-one.
What is the SMILES notation for 5-methoxy-1-(4-methoxyphenyl)sulfonyl-2H-indazol-3-one?
The canonical SMILES for 5-methoxy-1-(4-methoxyphenyl)sulfonyl-2H-indazol-3-one is COc1ccc(S(=O)(=O)n2[nH]c(=O)c3cc(OC)ccc32)cc1.
What is the InChIKey of 5-methoxy-1-(4-methoxyphenyl)sulfonyl-2H-indazol-3-one?
The InChIKey is MJFHWSREUYRUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-21-10-3-6-12(7-4-10)23(19,20)17-14-8-5-11(22-2)9-13(14)15(18)16-17/h3-9H,1-2H3,(H,16,18).
What are the key properties of 5-methoxy-1-(4-methoxyphenyl)sulfonyl-2H-indazol-3-one?
5-methoxy-1-(4-methoxyphenyl)sulfonyl-2H-indazol-3-one has a molecular weight of 334.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(4-methoxyphenyl)sulfonyl-2H-indazol-3-one is sourced from PubChem (CID 110169575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).