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

C20H17ClN4O4S2 — CID 59456003

IUPAC3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]benzamide
SMILESCOc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(C(N)=O)c1
InChIInChI=1S/C20H17ClN4O4S2/c1-29-15-7-3-6-14-18(15)20(24-31(27,28)17-9-8-16(21)30-17)23-25(14)11-12-4-2-5-13(10-12)19(22)26/h2-10H,11H2,1H3,(H2,22,26)(H,23,24)
InChIKeyMLFCJHOGZMGVGN-UHFFFAOYSA-N
MW476.97 g/mol
LogP3.71
Rot. Bonds7

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

3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]benzamide (PubChem CID 59456003) has the molecular formula C20H17ClN4O4S2 and a molecular weight of 476.97 g/mol. Its IUPAC name is 3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]benzamide
PubChem CID59456003
Molecular FormulaC20H17ClN4O4S2
Molecular Weight476.97 g/mol
Exact Mass476.04
IUPAC Name3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]benzamide
SMILESCOc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(C(N)=O)c1
InChIInChI=1S/C20H17ClN4O4S2/c1-29-15-7-3-6-14-18(15)20(24-31(27,28)17-9-8-16(21)30-17)23-25(14)11-12-4-2-5-13(10-12)19(22)26/h2-10H,11H2,1H3,(H2,22,26)(H,23,24)
InChIKeyMLFCJHOGZMGVGN-UHFFFAOYSA-N
XLogP3.71
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.97
LogP ≤ 53.71
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]benzamide?
The IUPAC name of 3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]benzamide (CID 59456003) is 3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]benzamide.
What is the SMILES notation for 3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]benzamide?
The canonical SMILES for 3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]benzamide is COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]benzamide?
The InChIKey is MLFCJHOGZMGVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O4S2/c1-29-15-7-3-6-14-18(15)20(24-31(27,28)17-9-8-16(21)30-17)23-25(14)11-12-4-2-5-13(10-12)19(22)26/h2-10H,11H2,1H3,(H2,22,26)(H,23,24).
What are the key properties of 3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]benzamide?
3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]benzamide has a molecular weight of 476.97 g/mol, XLogP of 3.71, 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]benzamide is sourced from PubChem (CID 59456003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).