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

C20H19N3O4S2 — CID 66616985

IUPACN-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(Cn2nc(NS(=O)(=O)c3cccs3)c3c(OC)cccc32)cc1
InChIInChI=1S/C20H19N3O4S2/c1-26-15-10-8-14(9-11-15)13-23-16-5-3-6-17(27-2)19(16)20(21-23)22-29(24,25)18-7-4-12-28-18/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyWSJVVOPUSJXMJE-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.96
Rot. Bonds7

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

N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide (PubChem CID 66616985) has the molecular formula C20H19N3O4S2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide
PubChem CID66616985
Molecular FormulaC20H19N3O4S2
Molecular Weight429.52 g/mol
Exact Mass429.08
IUPAC NameN-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(Cn2nc(NS(=O)(=O)c3cccs3)c3c(OC)cccc32)cc1
InChIInChI=1S/C20H19N3O4S2/c1-26-15-10-8-14(9-11-15)13-23-16-5-3-6-17(27-2)19(16)20(21-23)22-29(24,25)18-7-4-12-28-18/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyWSJVVOPUSJXMJE-UHFFFAOYSA-N
XLogP3.96
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide (CID 66616985) is N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide is COc1ccc(Cn2nc(NS(=O)(=O)c3cccs3)c3c(OC)cccc32)cc1.
What is the InChIKey of N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is WSJVVOPUSJXMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S2/c1-26-15-10-8-14(9-11-15)13-23-16-5-3-6-17(27-2)19(16)20(21-23)22-29(24,25)18-7-4-12-28-18/h3-12H,13H2,1-2H3,(H,21,22).
What are the key properties of N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide?
N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 429.52 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-1-[(4-methoxyphenyl)methyl]indazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 66616985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).