1-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole

C23H24N2O5S2 — CID 58054493

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole
SMILESCOc1ccc(Cn2nc(CS(=O)(=O)c3ccc(C)s3)c3c(OC)cccc32)cc1OC
InChIInChI=1S/C23H24N2O5S2/c1-15-8-11-22(31-15)32(26,27)14-17-23-18(6-5-7-20(23)29-3)25(24-17)13-16-9-10-19(28-2)21(12-16)30-4/h5-12H,13-14H2,1-4H3
InChIKeyWBIVERQAGVRENS-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.45
Rot. Bonds8

About 1-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole

1-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole (PubChem CID 58054493) has the molecular formula C23H24N2O5S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole
PubChem CID58054493
Molecular FormulaC23H24N2O5S2
Molecular Weight472.59 g/mol
Exact Mass472.11
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole
SMILESCOc1ccc(Cn2nc(CS(=O)(=O)c3ccc(C)s3)c3c(OC)cccc32)cc1OC
InChIInChI=1S/C23H24N2O5S2/c1-15-8-11-22(31-15)32(26,27)14-17-23-18(6-5-7-20(23)29-3)25(24-17)13-16-9-10-19(28-2)21(12-16)30-4/h5-12H,13-14H2,1-4H3
InChIKeyWBIVERQAGVRENS-UHFFFAOYSA-N
XLogP4.45
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole (CID 58054493) is 1-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole is COc1ccc(Cn2nc(CS(=O)(=O)c3ccc(C)s3)c3c(OC)cccc32)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole?
The InChIKey is WBIVERQAGVRENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S2/c1-15-8-11-22(31-15)32(26,27)14-17-23-18(6-5-7-20(23)29-3)25(24-17)13-16-9-10-19(28-2)21(12-16)30-4/h5-12H,13-14H2,1-4H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole?
1-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole has a molecular weight of 472.59 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-[(5-methylthiophen-2-yl)sulfonylmethyl]indazole is sourced from PubChem (CID 58054493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).