4-(2-methylpropoxy)-N-(1H-pyrazol-5-yl)benzenesulfonamide

C13H17N3O3S — CID 61394117

IUPAC4-(2-methylpropoxy)-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESCC(C)COc1ccc(S(=O)(=O)Nc2ccn[nH]2)cc1
InChIInChI=1S/C13H17N3O3S/c1-10(2)9-19-11-3-5-12(6-4-11)20(17,18)16-13-7-8-14-15-13/h3-8,10H,9H2,1-2H3,(H2,14,15,16)
InChIKeyVTEZTQIMPZZMEY-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.25
Rot. Bonds6

About 4-(2-methylpropoxy)-N-(1H-pyrazol-5-yl)benzenesulfonamide

4-(2-methylpropoxy)-N-(1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 61394117) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-(1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-(1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID61394117
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-(2-methylpropoxy)-N-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESCC(C)COc1ccc(S(=O)(=O)Nc2ccn[nH]2)cc1
InChIInChI=1S/C13H17N3O3S/c1-10(2)9-19-11-3-5-12(6-4-11)20(17,18)16-13-7-8-14-15-13/h3-8,10H,9H2,1-2H3,(H2,14,15,16)
InChIKeyVTEZTQIMPZZMEY-UHFFFAOYSA-N
XLogP2.25
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylpropoxy)-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 62944142
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 71850721
1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene
CID 22131571
3-methyl-4-propan-2-yloxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394212
N-[1-(4-methylphenoxy)propan-2-yl]-1H-pyrazole-5-sulfonamide
CID 102692367
N-[4-(2-methylpropoxy)phenyl]sulfamoyl chloride
CID 84760646
N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 64913130
N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 62663335
N-benzyl-4-(2-methylpropoxy)benzenesulfonamide
CID 826388
N-(1-hydroxypentan-3-yl)-4-(2-methylpropoxy)benzenesulfonamide
CID 115755254
4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 81437806
[1-oxo-1-[4-(pyrimidin-2-ylsulfamoyl)anilino]propan-2-yl] 4-(2-methylpropoxy)benzoate
CID 24671464

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-(2-methylpropoxy)-N-(1H-pyrazol-5-yl)benzenesulfonamide (CID 61394117) is 4-(2-methylpropoxy)-N-(1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropoxy)-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylpropoxy)-N-(1H-pyrazol-5-yl)benzenesulfonamide is CC(C)COc1ccc(S(=O)(=O)Nc2ccn[nH]2)cc1.
What is the InChIKey of 4-(2-methylpropoxy)-N-(1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is VTEZTQIMPZZMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-10(2)9-19-11-3-5-12(6-4-11)20(17,18)16-13-7-8-14-15-13/h3-8,10H,9H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-(2-methylpropoxy)-N-(1H-pyrazol-5-yl)benzenesulfonamide?
4-(2-methylpropoxy)-N-(1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-(1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 61394117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).