N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C20H16N4O3S2 — CID 59024307

IUPACN-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1
InChIInChI=1S/C20H16N4O3S2/c1-11-20(12(2)27-23-11)29(25,26)24-15-7-14-10-21-22-19(14)16(9-15)18-8-13-5-3-4-6-17(13)28-18/h3-10,24H,1-2H3,(H,21,22)
InChIKeyXRCIHOFWIQKRJC-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.85
Rot. Bonds4

About N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 59024307) has the molecular formula C20H16N4O3S2 and a molecular weight of 424.51 g/mol. Its IUPAC name is N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID59024307
Molecular FormulaC20H16N4O3S2
Molecular Weight424.51 g/mol
Exact Mass424.07
IUPAC NameN-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1
InChIInChI=1S/C20H16N4O3S2/c1-11-20(12(2)27-23-11)29(25,26)24-15-7-14-10-21-22-19(14)16(9-15)18-8-13-5-3-4-6-17(13)28-18/h3-10,24H,1-2H3,(H,21,22)
InChIKeyXRCIHOFWIQKRJC-UHFFFAOYSA-N
XLogP4.85
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 59024307) is N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1cc(-c2cc3ccccc3s2)c2[nH]ncc2c1.
What is the InChIKey of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is XRCIHOFWIQKRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S2/c1-11-20(12(2)27-23-11)29(25,26)24-15-7-14-10-21-22-19(14)16(9-15)18-8-13-5-3-4-6-17(13)28-18/h3-10,24H,1-2H3,(H,21,22).
What are the key properties of N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 424.51 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 59024307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).