N-(3-cyano-4-methyl-1H-indazol-7-yl)-3-methyl-1,2-oxazole-5-sulfonamide

C13H11N5O3S — CID 170949544

IUPACN-(3-cyano-4-methyl-1H-indazol-7-yl)-3-methyl-1,2-oxazole-5-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C)c3c(C#N)n[nH]c23)on1
InChIInChI=1S/C13H11N5O3S/c1-7-3-4-9(13-12(7)10(6-14)15-16-13)18-22(19,20)11-5-8(2)17-21-11/h3-5,18H,1-2H3,(H,15,16)
InChIKeyIHPLNAMMJOEQQC-UHFFFAOYSA-N
MW317.33 g/mol
LogP1.84
Rot. Bonds3

About N-(3-cyano-4-methyl-1H-indazol-7-yl)-3-methyl-1,2-oxazole-5-sulfonamide

N-(3-cyano-4-methyl-1H-indazol-7-yl)-3-methyl-1,2-oxazole-5-sulfonamide (PubChem CID 170949544) has the molecular formula C13H11N5O3S and a molecular weight of 317.33 g/mol. Its IUPAC name is N-(3-cyano-4-methyl-1H-indazol-7-yl)-3-methyl-1,2-oxazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-methyl-1H-indazol-7-yl)-3-methyl-1,2-oxazole-5-sulfonamide
PubChem CID170949544
Molecular FormulaC13H11N5O3S
Molecular Weight317.33 g/mol
Exact Mass317.06
IUPAC NameN-(3-cyano-4-methyl-1H-indazol-7-yl)-3-methyl-1,2-oxazole-5-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(C)c3c(C#N)n[nH]c23)on1
InChIInChI=1S/C13H11N5O3S/c1-7-3-4-9(13-12(7)10(6-14)15-16-13)18-22(19,20)11-5-8(2)17-21-11/h3-5,18H,1-2H3,(H,15,16)
InChIKeyIHPLNAMMJOEQQC-UHFFFAOYSA-N
XLogP1.84
TPSA124.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methyl-1H-indazol-7-yl)-3-methyl-1,2-oxazole-5-sulfonamide?
The IUPAC name of N-(3-cyano-4-methyl-1H-indazol-7-yl)-3-methyl-1,2-oxazole-5-sulfonamide (CID 170949544) is N-(3-cyano-4-methyl-1H-indazol-7-yl)-3-methyl-1,2-oxazole-5-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-methyl-1H-indazol-7-yl)-3-methyl-1,2-oxazole-5-sulfonamide?
The canonical SMILES for N-(3-cyano-4-methyl-1H-indazol-7-yl)-3-methyl-1,2-oxazole-5-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(C)c3c(C#N)n[nH]c23)on1.
What is the InChIKey of N-(3-cyano-4-methyl-1H-indazol-7-yl)-3-methyl-1,2-oxazole-5-sulfonamide?
The InChIKey is IHPLNAMMJOEQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3S/c1-7-3-4-9(13-12(7)10(6-14)15-16-13)18-22(19,20)11-5-8(2)17-21-11/h3-5,18H,1-2H3,(H,15,16).
What are the key properties of N-(3-cyano-4-methyl-1H-indazol-7-yl)-3-methyl-1,2-oxazole-5-sulfonamide?
N-(3-cyano-4-methyl-1H-indazol-7-yl)-3-methyl-1,2-oxazole-5-sulfonamide has a molecular weight of 317.33 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methyl-1H-indazol-7-yl)-3-methyl-1,2-oxazole-5-sulfonamide is sourced from PubChem (CID 170949544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).