3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide

C13H18N4O2S — CID 61459524

IUPAC3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)Cn2cccn2)cc1N
InChIInChI=1S/C13H18N4O2S/c1-10-4-5-12(8-13(10)14)20(18,19)16-11(2)9-17-7-3-6-15-17/h3-8,11,16H,9,14H2,1-2H3
InChIKeyPGDMKZJVXBKFTH-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.14
Rot. Bonds5

About 3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide

3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide (PubChem CID 61459524) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
PubChem CID61459524
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)Cn2cccn2)cc1N
InChIInChI=1S/C13H18N4O2S/c1-10-4-5-12(8-13(10)14)20(18,19)16-11(2)9-17-7-3-6-15-17/h3-8,11,16H,9,14H2,1-2H3
InChIKeyPGDMKZJVXBKFTH-UHFFFAOYSA-N
XLogP1.14
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.14
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

2-methyl-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 94024841
4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 79569041
6-hydrazinyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
CID 61460819
4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 106996794
N-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421967
N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 94023228
3-amino-4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471703
3-amino-5-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 63322842
2-methoxy-5-[[(2S)-1-pyrazol-1-ylpropan-2-yl]sulfamoyl]benzamide
CID 94181205
3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479595
5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009439
N-propyl-4-(1-pyrazol-1-ylpropan-2-ylsulfamoyl)benzamide
CID 70724305

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide (CID 61459524) is 3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)Cn2cccn2)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is PGDMKZJVXBKFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-10-4-5-12(8-13(10)14)20(18,19)16-11(2)9-17-7-3-6-15-17/h3-8,11,16H,9,14H2,1-2H3.
What are the key properties of 3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide?
3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61459524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).