N-(1-benzofuran-2-ylsulfonyl)-2-methylindazole-6-carboxamide

C17H13N3O4S — CID 167767384

IUPACN-(1-benzofuran-2-ylsulfonyl)-2-methylindazole-6-carboxamide
SMILESCn1cc2ccc(C(=O)NS(=O)(=O)c3cc4ccccc4o3)cc2n1
InChIInChI=1S/C17H13N3O4S/c1-20-10-13-7-6-12(8-14(13)18-20)17(21)19-25(22,23)16-9-11-4-2-3-5-15(11)24-16/h2-10H,1H3,(H,19,21)
InChIKeyCNIQDPFFDZYADO-UHFFFAOYSA-N
MW355.38 g/mol
LogP2.44
Rot. Bonds3

About N-(1-benzofuran-2-ylsulfonyl)-2-methylindazole-6-carboxamide

N-(1-benzofuran-2-ylsulfonyl)-2-methylindazole-6-carboxamide (PubChem CID 167767384) has the molecular formula C17H13N3O4S and a molecular weight of 355.38 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylsulfonyl)-2-methylindazole-6-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylsulfonyl)-2-methylindazole-6-carboxamide
PubChem CID167767384
Molecular FormulaC17H13N3O4S
Molecular Weight355.38 g/mol
Exact Mass355.06
IUPAC NameN-(1-benzofuran-2-ylsulfonyl)-2-methylindazole-6-carboxamide
SMILESCn1cc2ccc(C(=O)NS(=O)(=O)c3cc4ccccc4o3)cc2n1
InChIInChI=1S/C17H13N3O4S/c1-20-10-13-7-6-12(8-14(13)18-20)17(21)19-25(22,23)16-9-11-4-2-3-5-15(11)24-16/h2-10H,1H3,(H,19,21)
InChIKeyCNIQDPFFDZYADO-UHFFFAOYSA-N
XLogP2.44
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzofuran-2-ylsulfonyl)-2-methylindazole-6-carboxamide 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 N-(1-benzofuran-2-ylsulfonyl)-2-methylindazole-6-carboxamide?
The IUPAC name of N-(1-benzofuran-2-ylsulfonyl)-2-methylindazole-6-carboxamide (CID 167767384) is N-(1-benzofuran-2-ylsulfonyl)-2-methylindazole-6-carboxamide.
What is the SMILES notation for N-(1-benzofuran-2-ylsulfonyl)-2-methylindazole-6-carboxamide?
The canonical SMILES for N-(1-benzofuran-2-ylsulfonyl)-2-methylindazole-6-carboxamide is Cn1cc2ccc(C(=O)NS(=O)(=O)c3cc4ccccc4o3)cc2n1.
What is the InChIKey of N-(1-benzofuran-2-ylsulfonyl)-2-methylindazole-6-carboxamide?
The InChIKey is CNIQDPFFDZYADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4S/c1-20-10-13-7-6-12(8-14(13)18-20)17(21)19-25(22,23)16-9-11-4-2-3-5-15(11)24-16/h2-10H,1H3,(H,19,21).
What are the key properties of N-(1-benzofuran-2-ylsulfonyl)-2-methylindazole-6-carboxamide?
N-(1-benzofuran-2-ylsulfonyl)-2-methylindazole-6-carboxamide has a molecular weight of 355.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylsulfonyl)-2-methylindazole-6-carboxamide is sourced from PubChem (CID 167767384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).