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

C12H12N4O3S — CID 31806404

IUPACN-(1H-indazol-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C12H12N4O3S/c1-7-12(8(2)19-15-7)20(17,18)16-10-5-3-4-9-6-13-14-11(9)10/h3-6,16H,1-2H3,(H,13,14)
InChIKeySJZFPMLJEZJPGV-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.97
Rot. Bonds3

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

N-(1H-indazol-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 31806404) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-(1H-indazol-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID31806404
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC NameN-(1H-indazol-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cccc2cn[nH]c12
InChIInChI=1S/C12H12N4O3S/c1-7-12(8(2)19-15-7)20(17,18)16-10-5-3-4-9-6-13-14-11(9)10/h3-6,16H,1-2H3,(H,13,14)
InChIKeySJZFPMLJEZJPGV-UHFFFAOYSA-N
XLogP1.97
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(1H-indazol-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 31806404) is N-(1H-indazol-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(1H-indazol-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(1H-indazol-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1cccc2cn[nH]c12.
What is the InChIKey of N-(1H-indazol-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is SJZFPMLJEZJPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-7-12(8(2)19-15-7)20(17,18)16-10-5-3-4-9-6-13-14-11(9)10/h3-6,16H,1-2H3,(H,13,14).
What are the key properties of N-(1H-indazol-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(1H-indazol-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 292.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-7-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 31806404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).