3-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide

C20H19N3O4S2 — CID 66616984

IUPAC3-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(Cn2nc(-c3ccsc3S(N)(=O)=O)c3c(OC)cccc32)cc1
InChIInChI=1S/C20H19N3O4S2/c1-26-14-8-6-13(7-9-14)12-23-16-4-3-5-17(27-2)18(16)19(22-23)15-10-11-28-20(15)29(21,24)25/h3-11H,12H2,1-2H3,(H2,21,24,25)
InChIKeyISTRDWRKYCRJLD-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.48
Rot. Bonds6

About 3-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide

3-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide (PubChem CID 66616984) has the molecular formula C20H19N3O4S2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide
PubChem CID66616984
Molecular FormulaC20H19N3O4S2
Molecular Weight429.52 g/mol
Exact Mass429.08
IUPAC Name3-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(Cn2nc(-c3ccsc3S(N)(=O)=O)c3c(OC)cccc32)cc1
InChIInChI=1S/C20H19N3O4S2/c1-26-14-8-6-13(7-9-14)12-23-16-4-3-5-17(27-2)18(16)19(22-23)15-10-11-28-20(15)29(21,24)25/h3-11H,12H2,1-2H3,(H2,21,24,25)
InChIKeyISTRDWRKYCRJLD-UHFFFAOYSA-N
XLogP3.48
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 3-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide (CID 66616984) is 3-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 3-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide is COc1ccc(Cn2nc(-c3ccsc3S(N)(=O)=O)c3c(OC)cccc32)cc1.
What is the InChIKey of 3-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is ISTRDWRKYCRJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S2/c1-26-14-8-6-13(7-9-14)12-23-16-4-3-5-17(27-2)18(16)19(22-23)15-10-11-28-20(15)29(21,24)25/h3-11H,12H2,1-2H3,(H2,21,24,25).
What are the key properties of 3-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide?
3-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 429.52 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 66616984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).