3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide

C17H18N4O2S — CID 113226024

IUPAC3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H18N4O2S/c1-13-16(18)8-5-9-17(13)24(22,23)20-15-10-19-21(12-15)11-14-6-3-2-4-7-14/h2-10,12,20H,11,18H2,1H3
InChIKeyPKNARCFTIZJOIZ-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.62
Rot. Bonds5

About 3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide

3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide (PubChem CID 113226024) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide
PubChem CID113226024
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide
SMILESCc1c(N)cccc1S(=O)(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H18N4O2S/c1-13-16(18)8-5-9-17(13)24(22,23)20-15-10-19-21(12-15)11-14-6-3-2-4-7-14/h2-10,12,20H,11,18H2,1H3
InChIKeyPKNARCFTIZJOIZ-UHFFFAOYSA-N
XLogP2.62
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.62
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

N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide
CID 60534309
4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 113229970
N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide
CID 60534307
1-(2-aminophenyl)-N-(1-benzylpyrazol-4-yl)methanesulfonamide
CID 113227843
N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide
CID 61061450
3-[(1-ethylpyrazol-4-yl)sulfamoyl]-2-methylbenzoic acid
CID 63744322
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 3461470
N-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide
CID 83092889
N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 60933913
4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid
CID 167971932
1-ethyl-3-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-sulfonamide
CID 22205086
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 22203135

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide (CID 113226024) is 3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide is Cc1c(N)cccc1S(=O)(=O)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide?
The InChIKey is PKNARCFTIZJOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-13-16(18)8-5-9-17(13)24(22,23)20-15-10-19-21(12-15)11-14-6-3-2-4-7-14/h2-10,12,20H,11,18H2,1H3.
What are the key properties of 3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide?
3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 113226024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).