1-(2-aminophenyl)-N-(1-benzylpyrazol-4-yl)methanesulfonamide

C17H18N4O2S — CID 113227843

IUPAC1-(2-aminophenyl)-N-(1-benzylpyrazol-4-yl)methanesulfonamide
SMILESNc1ccccc1CS(=O)(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H18N4O2S/c18-17-9-5-4-8-15(17)13-24(22,23)20-16-10-19-21(12-16)11-14-6-2-1-3-7-14/h1-10,12,20H,11,13,18H2
InChIKeyNOHIUPYOXRJAHK-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.46
Rot. Bonds6

About 1-(2-aminophenyl)-N-(1-benzylpyrazol-4-yl)methanesulfonamide

1-(2-aminophenyl)-N-(1-benzylpyrazol-4-yl)methanesulfonamide (PubChem CID 113227843) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-(1-benzylpyrazol-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-(1-benzylpyrazol-4-yl)methanesulfonamide
PubChem CID113227843
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-(2-aminophenyl)-N-(1-benzylpyrazol-4-yl)methanesulfonamide
SMILESNc1ccccc1CS(=O)(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C17H18N4O2S/c18-17-9-5-4-8-15(17)13-24(22,23)20-16-10-19-21(12-16)11-14-6-2-1-3-7-14/h1-10,12,20H,11,13,18H2
InChIKeyNOHIUPYOXRJAHK-UHFFFAOYSA-N
XLogP2.46
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.46
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)-1-bromomethanesulfonamide
CID 83092889
N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide
CID 61061450
3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 113226024
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-1-phenylmethanesulfonamide
CID 3863910
1-[2-(aminomethyl)phenyl]-N-(1-ethylpyrazol-4-yl)methanesulfonamide
CID 43543616
N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide
CID 60534309
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]ethanesulfonamide
CID 22201754
N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 60933913
1-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]methanesulfonamide
CID 46397273
N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide
CID 60534307
1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine
CID 60931144
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 22203135

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-(1-benzylpyrazol-4-yl)methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-(1-benzylpyrazol-4-yl)methanesulfonamide (CID 113227843) is 1-(2-aminophenyl)-N-(1-benzylpyrazol-4-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-(1-benzylpyrazol-4-yl)methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-(1-benzylpyrazol-4-yl)methanesulfonamide is Nc1ccccc1CS(=O)(=O)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 1-(2-aminophenyl)-N-(1-benzylpyrazol-4-yl)methanesulfonamide?
The InChIKey is NOHIUPYOXRJAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c18-17-9-5-4-8-15(17)13-24(22,23)20-16-10-19-21(12-16)11-14-6-2-1-3-7-14/h1-10,12,20H,11,13,18H2.
What are the key properties of 1-(2-aminophenyl)-N-(1-benzylpyrazol-4-yl)methanesulfonamide?
1-(2-aminophenyl)-N-(1-benzylpyrazol-4-yl)methanesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-(1-benzylpyrazol-4-yl)methanesulfonamide is sourced from PubChem (CID 113227843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).