5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide

C21H20ClN3O5S2 — CID 58054516

IUPAC5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(OC)cccc32)cc1OC
InChIInChI=1S/C21H20ClN3O5S2/c1-28-15-8-7-13(11-17(15)30-3)12-25-14-5-4-6-16(29-2)20(14)21(23-25)24-32(26,27)19-10-9-18(22)31-19/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeyGGAQTSDQMPFHNX-UHFFFAOYSA-N
MW493.99 g/mol
LogP4.63
Rot. Bonds8

About 5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide

5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide (PubChem CID 58054516) has the molecular formula C21H20ClN3O5S2 and a molecular weight of 493.99 g/mol. Its IUPAC name is 5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide
PubChem CID58054516
Molecular FormulaC21H20ClN3O5S2
Molecular Weight493.99 g/mol
Exact Mass493.05
IUPAC Name5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide
SMILESCOc1ccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(OC)cccc32)cc1OC
InChIInChI=1S/C21H20ClN3O5S2/c1-28-15-8-7-13(11-17(15)30-3)12-25-14-5-4-6-16(29-2)20(14)21(23-25)24-32(26,27)19-10-9-18(22)31-19/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeyGGAQTSDQMPFHNX-UHFFFAOYSA-N
XLogP4.63
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.99
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide (CID 58054516) is 5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide is COc1ccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(OC)cccc32)cc1OC.
What is the InChIKey of 5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is GGAQTSDQMPFHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O5S2/c1-28-15-8-7-13(11-17(15)30-3)12-25-14-5-4-6-16(29-2)20(14)21(23-25)24-32(26,27)19-10-9-18(22)31-19/h4-11H,12H2,1-3H3,(H,23,24).
What are the key properties of 5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide?
5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 493.99 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methoxyindazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 58054516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).