N-(2,4-dimethylphenyl)sulfonyl-2-(1H-indazol-5-yloxy)acetamide

C17H17N3O4S — CID 155521401

IUPACN-(2,4-dimethylphenyl)sulfonyl-2-(1H-indazol-5-yloxy)acetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)COc2ccc3[nH]ncc3c2)c(C)c1
InChIInChI=1S/C17H17N3O4S/c1-11-3-6-16(12(2)7-11)25(22,23)20-17(21)10-24-14-4-5-15-13(8-14)9-18-19-15/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyNXLQOIRSZFGFCH-UHFFFAOYSA-N
MW359.41 g/mol
LogP2.06
Rot. Bonds5

About N-(2,4-dimethylphenyl)sulfonyl-2-(1H-indazol-5-yloxy)acetamide

N-(2,4-dimethylphenyl)sulfonyl-2-(1H-indazol-5-yloxy)acetamide (PubChem CID 155521401) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)sulfonyl-2-(1H-indazol-5-yloxy)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)sulfonyl-2-(1H-indazol-5-yloxy)acetamide
PubChem CID155521401
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-(2,4-dimethylphenyl)sulfonyl-2-(1H-indazol-5-yloxy)acetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)COc2ccc3[nH]ncc3c2)c(C)c1
InChIInChI=1S/C17H17N3O4S/c1-11-3-6-16(12(2)7-11)25(22,23)20-17(21)10-24-14-4-5-15-13(8-14)9-18-19-15/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyNXLQOIRSZFGFCH-UHFFFAOYSA-N
XLogP2.06
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)sulfonyl-2-(1H-indazol-5-yloxy)acetamide?
The IUPAC name of N-(2,4-dimethylphenyl)sulfonyl-2-(1H-indazol-5-yloxy)acetamide (CID 155521401) is N-(2,4-dimethylphenyl)sulfonyl-2-(1H-indazol-5-yloxy)acetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)sulfonyl-2-(1H-indazol-5-yloxy)acetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)sulfonyl-2-(1H-indazol-5-yloxy)acetamide is Cc1ccc(S(=O)(=O)NC(=O)COc2ccc3[nH]ncc3c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)sulfonyl-2-(1H-indazol-5-yloxy)acetamide?
The InChIKey is NXLQOIRSZFGFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-11-3-6-16(12(2)7-11)25(22,23)20-17(21)10-24-14-4-5-15-13(8-14)9-18-19-15/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of N-(2,4-dimethylphenyl)sulfonyl-2-(1H-indazol-5-yloxy)acetamide?
N-(2,4-dimethylphenyl)sulfonyl-2-(1H-indazol-5-yloxy)acetamide has a molecular weight of 359.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)sulfonyl-2-(1H-indazol-5-yloxy)acetamide is sourced from PubChem (CID 155521401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).