3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]-N-methylbenzamide

C21H19ClN4O4S2 — CID 58054532

IUPAC3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(OC)cccc32)c1
InChIInChI=1S/C21H19ClN4O4S2/c1-23-21(27)14-6-3-5-13(11-14)12-26-15-7-4-8-16(30-2)19(15)20(24-26)25-32(28,29)18-10-9-17(22)31-18/h3-11H,12H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyRNGRRERBXSRQFL-UHFFFAOYSA-N
MW490.99 g/mol
LogP3.97
Rot. Bonds7

About 3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]-N-methylbenzamide

3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]-N-methylbenzamide (PubChem CID 58054532) has the molecular formula C21H19ClN4O4S2 and a molecular weight of 490.99 g/mol. Its IUPAC name is 3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]-N-methylbenzamide
PubChem CID58054532
Molecular FormulaC21H19ClN4O4S2
Molecular Weight490.99 g/mol
Exact Mass490.05
IUPAC Name3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(OC)cccc32)c1
InChIInChI=1S/C21H19ClN4O4S2/c1-23-21(27)14-6-3-5-13(11-14)12-26-15-7-4-8-16(30-2)19(15)20(24-26)25-32(28,29)18-10-9-17(22)31-18/h3-11H,12H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyRNGRRERBXSRQFL-UHFFFAOYSA-N
XLogP3.97
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.99
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]-N-methylbenzamide (CID 58054532) is 3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]-N-methylbenzamide is CNC(=O)c1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(OC)cccc32)c1.
What is the InChIKey of 3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]-N-methylbenzamide?
The InChIKey is RNGRRERBXSRQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O4S2/c1-23-21(27)14-6-3-5-13(11-14)12-26-15-7-4-8-16(30-2)19(15)20(24-26)25-32(28,29)18-10-9-17(22)31-18/h3-11H,12H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of 3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]-N-methylbenzamide?
3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]-N-methylbenzamide has a molecular weight of 490.99 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 58054532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).