2-[3-(3-tert-butylpyrazol-1-yl)-N-(dimethylsulfamoyl)anilino]ethanol

C17H26N4O3S — CID 141134717

IUPAC2-[3-(3-tert-butylpyrazol-1-yl)-N-(dimethylsulfamoyl)anilino]ethanol
SMILESCN(C)S(=O)(=O)N(CCO)c1cccc(-n2ccc(C(C)(C)C)n2)c1
InChIInChI=1S/C17H26N4O3S/c1-17(2,3)16-9-10-20(18-16)14-7-6-8-15(13-14)21(11-12-22)25(23,24)19(4)5/h6-10,13,22H,11-12H2,1-5H3
InChIKeyGSJYMVXMYFYPAS-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.77
Rot. Bonds6

About 2-[3-(3-tert-butylpyrazol-1-yl)-N-(dimethylsulfamoyl)anilino]ethanol

2-[3-(3-tert-butylpyrazol-1-yl)-N-(dimethylsulfamoyl)anilino]ethanol (PubChem CID 141134717) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-[3-(3-tert-butylpyrazol-1-yl)-N-(dimethylsulfamoyl)anilino]ethanol.

Molecular Properties

Compound Name2-[3-(3-tert-butylpyrazol-1-yl)-N-(dimethylsulfamoyl)anilino]ethanol
PubChem CID141134717
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name2-[3-(3-tert-butylpyrazol-1-yl)-N-(dimethylsulfamoyl)anilino]ethanol
SMILESCN(C)S(=O)(=O)N(CCO)c1cccc(-n2ccc(C(C)(C)C)n2)c1
InChIInChI=1S/C17H26N4O3S/c1-17(2,3)16-9-10-20(18-16)14-7-6-8-15(13-14)21(11-12-22)25(23,24)19(4)5/h6-10,13,22H,11-12H2,1-5H3
InChIKeyGSJYMVXMYFYPAS-UHFFFAOYSA-N
XLogP1.77
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-tert-butylpyrazol-1-yl)-N-(dimethylsulfamoyl)anilino]ethanol?
The IUPAC name of 2-[3-(3-tert-butylpyrazol-1-yl)-N-(dimethylsulfamoyl)anilino]ethanol (CID 141134717) is 2-[3-(3-tert-butylpyrazol-1-yl)-N-(dimethylsulfamoyl)anilino]ethanol.
What is the SMILES notation for 2-[3-(3-tert-butylpyrazol-1-yl)-N-(dimethylsulfamoyl)anilino]ethanol?
The canonical SMILES for 2-[3-(3-tert-butylpyrazol-1-yl)-N-(dimethylsulfamoyl)anilino]ethanol is CN(C)S(=O)(=O)N(CCO)c1cccc(-n2ccc(C(C)(C)C)n2)c1.
What is the InChIKey of 2-[3-(3-tert-butylpyrazol-1-yl)-N-(dimethylsulfamoyl)anilino]ethanol?
The InChIKey is GSJYMVXMYFYPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-17(2,3)16-9-10-20(18-16)14-7-6-8-15(13-14)21(11-12-22)25(23,24)19(4)5/h6-10,13,22H,11-12H2,1-5H3.
What are the key properties of 2-[3-(3-tert-butylpyrazol-1-yl)-N-(dimethylsulfamoyl)anilino]ethanol?
2-[3-(3-tert-butylpyrazol-1-yl)-N-(dimethylsulfamoyl)anilino]ethanol has a molecular weight of 366.49 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-tert-butylpyrazol-1-yl)-N-(dimethylsulfamoyl)anilino]ethanol is sourced from PubChem (CID 141134717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).