N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide

C17H15N3O3S2 — CID 22260716

IUPACN-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide
SMILESCOc1c(NS(C)(=O)=O)ccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C17H15N3O3S2/c1-23-17-12(20-25(2,21)22)8-7-11-15(17)16(19-18-11)14-9-10-5-3-4-6-13(10)24-14/h3-9,20H,1-2H3,(H,18,19)
InChIKeyMLHLLDJQVRJDIS-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.82
Rot. Bonds4

About N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide

N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide (PubChem CID 22260716) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide
PubChem CID22260716
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC NameN-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide
SMILESCOc1c(NS(C)(=O)=O)ccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C17H15N3O3S2/c1-23-17-12(20-25(2,21)22)8-7-11-15(17)16(19-18-11)14-9-10-5-3-4-6-13(10)24-14/h3-9,20H,1-2H3,(H,18,19)
InChIKeyMLHLLDJQVRJDIS-UHFFFAOYSA-N
XLogP3.82
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide?
The IUPAC name of N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide (CID 22260716) is N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide.
What is the SMILES notation for N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide?
The canonical SMILES for N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide is COc1c(NS(C)(=O)=O)ccc2[nH]nc(-c3cc4ccccc4s3)c12.
What is the InChIKey of N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide?
The InChIKey is MLHLLDJQVRJDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c1-23-17-12(20-25(2,21)22)8-7-11-15(17)16(19-18-11)14-9-10-5-3-4-6-13(10)24-14/h3-9,20H,1-2H3,(H,18,19).
What are the key properties of N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide?
N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide has a molecular weight of 373.46 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-yl]methanesulfonamide is sourced from PubChem (CID 22260716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).