2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide

C13H18N4O2S — CID 43258247

IUPAC2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccnn2C(C)C)c(N)c1
InChIInChI=1S/C13H18N4O2S/c1-9(2)17-13(6-7-15-17)16-20(18,19)12-5-4-10(3)8-11(12)14/h4-9,16H,14H2,1-3H3
InChIKeyIICFZNAMWNUDIN-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.16
Rot. Bonds4

About 2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide

2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide (PubChem CID 43258247) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
PubChem CID43258247
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccnn2C(C)C)c(N)c1
InChIInChI=1S/C13H18N4O2S/c1-9(2)17-13(6-7-15-17)16-20(18,19)12-5-4-10(3)8-11(12)14/h4-9,16H,14H2,1-3H3
InChIKeyIICFZNAMWNUDIN-UHFFFAOYSA-N
XLogP2.16
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.16
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-amino-4-bromo-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 43258241
3-amino-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 60808279
5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]furan-2-carboxylic acid
CID 62803072
5-methyl-4-[(2-propan-2-ylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 63327974
3-amino-2,5-dimethyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 79889831
3-(1-aminoethyl)-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide
CID 43107586
5-chloro-6-hydrazinyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-sulfonamide
CID 64607395
3-amino-4-[(2-methylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 81470825
2-amino-4-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 43258819
5-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylsulfonyl]aniline
CID 81192733
ethyl 2-[(2-amino-4-methylphenyl)sulfonylamino]propanoate
CID 61498584
N-(2-propan-2-ylpyrazol-3-yl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 28940814

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide (CID 43258247) is 2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccnn2C(C)C)c(N)c1.
What is the InChIKey of 2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is IICFZNAMWNUDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-9(2)17-13(6-7-15-17)16-20(18,19)12-5-4-10(3)8-11(12)14/h4-9,16H,14H2,1-3H3.
What are the key properties of 2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide?
2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 43258247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).