5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

C12H16N4O2S — CID 61351156

IUPAC5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NCc1cnn(C)c1
InChIInChI=1S/C12H16N4O2S/c1-9-3-4-11(13)5-12(9)19(17,18)15-7-10-6-14-16(2)8-10/h3-6,8,15H,7,13H2,1-2H3
InChIKeyUZPIANXJBGVMNX-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.79
Rot. Bonds4

About 5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide

5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 61351156) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID61351156
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NCc1cnn(C)c1
InChIInChI=1S/C12H16N4O2S/c1-9-3-4-11(13)5-12(9)19(17,18)15-7-10-6-14-16(2)8-10/h3-6,8,15H,7,13H2,1-2H3
InChIKeyUZPIANXJBGVMNX-UHFFFAOYSA-N
XLogP0.79
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.79
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

5-amino-N-[(1-methylpyrazol-4-yl)methyl]-2-nitrobenzenesulfonamide
CID 62158520
5-(aminomethyl)-2,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018285
2-amino-3,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 103171325
2-amino-4-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61350401
5-amino-N-[(4-ethylphenyl)methyl]-2-methylbenzenesulfonamide
CID 106899180
2-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
CID 61350782
3-amino-4-[(1-methylpyrazol-4-yl)methylsulfamoyl]benzamide
CID 81466386
5-(aminomethyl)-2-chloro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018200
3-amino-2-bromo-5-chloro-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 62956906
4-(aminomethyl)-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 106997056
5-amino-2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]benzenesulfonamide
CID 79896384
2-methyl-3-(methylaminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106018292

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide (CID 61351156) is 5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)NCc1cnn(C)c1.
What is the InChIKey of 5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is UZPIANXJBGVMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-9-3-4-11(13)5-12(9)19(17,18)15-7-10-6-14-16(2)8-10/h3-6,8,15H,7,13H2,1-2H3.
What are the key properties of 5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide?
5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 61351156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).