1-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide

C11H14N4O2S — CID 62022653

IUPAC1-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide
SMILESCn1nccc1NS(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C11H14N4O2S/c1-15-11(6-7-13-15)14-18(16,17)8-9-4-2-3-5-10(9)12/h2-7,14H,8,12H2,1H3
InChIKeyNGTNJOYPCFAHCC-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.94
Rot. Bonds4

About 1-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide

1-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide (PubChem CID 62022653) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide
PubChem CID62022653
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name1-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide
SMILESCn1nccc1NS(=O)(=O)Cc1ccccc1N
InChIInChI=1S/C11H14N4O2S/c1-15-11(6-7-13-15)14-18(16,17)8-9-4-2-3-5-10(9)12/h2-7,14H,8,12H2,1H3
InChIKeyNGTNJOYPCFAHCC-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide (CID 62022653) is 1-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide is Cn1nccc1NS(=O)(=O)Cc1ccccc1N.
What is the InChIKey of 1-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide?
The InChIKey is NGTNJOYPCFAHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-15-11(6-7-13-15)14-18(16,17)8-9-4-2-3-5-10(9)12/h2-7,14H,8,12H2,1H3.
What are the key properties of 1-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide?
1-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide has a molecular weight of 266.33 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-(2-methylpyrazol-3-yl)methanesulfonamide is sourced from PubChem (CID 62022653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).