4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide

C14H20N4O2S — CID 79569041

IUPAC4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NC(C)Cn1cccn1
InChIInChI=1S/C14H20N4O2S/c1-10-7-13(15)8-11(2)14(10)21(19,20)17-12(3)9-18-6-4-5-16-18/h4-8,12,17H,9,15H2,1-3H3
InChIKeyCFGDIBYGOZPJLL-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.45
Rot. Bonds5

About 4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide

4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 79569041) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID79569041
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
SMILESCc1cc(N)cc(C)c1S(=O)(=O)NC(C)Cn1cccn1
InChIInChI=1S/C14H20N4O2S/c1-10-7-13(15)8-11(2)14(10)21(19,20)17-12(3)9-18-6-4-5-16-18/h4-8,12,17H,9,15H2,1-3H3
InChIKeyCFGDIBYGOZPJLL-UHFFFAOYSA-N
XLogP1.45
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61459524
3-amino-1,5-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrazole-4-sulfonamide
CID 105358699
3-amino-5-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 63322842
3,5-dimethyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 94162195
2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 94024841
4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 106996794
4-amino-2,6-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 79568745
2-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide
CID 63945800
2,4,6-trimethyl-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 60539912
5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009439
2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide
CID 61052500
6-hydrazinyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
CID 61460819

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide (CID 79569041) is 4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide is Cc1cc(N)cc(C)c1S(=O)(=O)NC(C)Cn1cccn1.
What is the InChIKey of 4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is CFGDIBYGOZPJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-10-7-13(15)8-11(2)14(10)21(19,20)17-12(3)9-18-6-4-5-16-18/h4-8,12,17H,9,15H2,1-3H3.
What are the key properties of 4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide?
4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 79569041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).