N-ethyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide

C12H16N4O2S — CID 79779402

IUPACN-ethyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1Nc1ccn(C)n1
InChIInChI=1S/C12H16N4O2S/c1-3-13-19(17,18)11-7-5-4-6-10(11)14-12-8-9-16(2)15-12/h4-9,13H,3H2,1-2H3,(H,14,15)
InChIKeyFKHKIYLSQDOVBM-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.46
Rot. Bonds5

About N-ethyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide

N-ethyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide (PubChem CID 79779402) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is N-ethyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide
PubChem CID79779402
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC NameN-ethyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1Nc1ccn(C)n1
InChIInChI=1S/C12H16N4O2S/c1-3-13-19(17,18)11-7-5-4-6-10(11)14-12-8-9-16(2)15-12/h4-9,13H,3H2,1-2H3,(H,14,15)
InChIKeyFKHKIYLSQDOVBM-UHFFFAOYSA-N
XLogP1.46
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide?
The IUPAC name of N-ethyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide (CID 79779402) is N-ethyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide?
The canonical SMILES for N-ethyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide is CCNS(=O)(=O)c1ccccc1Nc1ccn(C)n1.
What is the InChIKey of N-ethyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide?
The InChIKey is FKHKIYLSQDOVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-3-13-19(17,18)11-7-5-4-6-10(11)14-12-8-9-16(2)15-12/h4-9,13H,3H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide?
N-ethyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide has a molecular weight of 280.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(1-methylpyrazol-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 79779402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).