3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide

C11H14N4O2S — CID 82881991

IUPAC3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2cccc(N)c2)n1
InChIInChI=1S/C11H14N4O2S/c1-15-6-5-10(14-15)8-13-18(16,17)11-4-2-3-9(12)7-11/h2-7,13H,8,12H2,1H3
InChIKeyOEGSJDXYJNYINO-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.48
Rot. Bonds4

About 3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide

3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 82881991) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID82881991
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2cccc(N)c2)n1
InChIInChI=1S/C11H14N4O2S/c1-15-6-5-10(14-15)8-13-18(16,17)11-4-2-3-9(12)7-11/h2-7,13H,8,12H2,1H3
InChIKeyOEGSJDXYJNYINO-UHFFFAOYSA-N
XLogP0.48
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.48
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

3-cyano-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82872695
3-[(1-methylpyrazol-3-yl)methylsulfamoyl]benzenecarbothioamide
CID 82872977
4-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882484
3-amino-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82881548
3-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 104868500
5-amino-2-fluoro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882897
4-amino-2,6-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882267
2-amino-N-[(1-methylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 82882628
3-bromo-4-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 106546637
5-(aminomethyl)-N-[(1-methylpyrazol-3-yl)methyl]-1H-pyrrole-3-sulfonamide
CID 106076457
3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 16795667
1-methyl-3-[(sulfamoylamino)methyl]pyrazole
CID 112548279

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide (CID 82881991) is 3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide is Cn1ccc(CNS(=O)(=O)c2cccc(N)c2)n1.
What is the InChIKey of 3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is OEGSJDXYJNYINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-15-6-5-10(14-15)8-13-18(16,17)11-4-2-3-9(12)7-11/h2-7,13H,8,12H2,1H3.
What are the key properties of 3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide?
3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 266.33 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 82881991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).