N-(2-aminophenyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H18N4O2S — CID 62100660

IUPACN-(2-aminophenyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCN(c1ccccc1N)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C13H18N4O2S/c1-4-17(12-8-6-5-7-11(12)14)20(18,19)13-9(2)15-16-10(13)3/h5-8H,4,14H2,1-3H3,(H,15,16)
InChIKeyUWEOANXXBLAINH-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.82
Rot. Bonds4

About N-(2-aminophenyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(2-aminophenyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 62100660) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(2-aminophenyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID62100660
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-(2-aminophenyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCN(c1ccccc1N)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C13H18N4O2S/c1-4-17(12-8-6-5-7-11(12)14)20(18,19)13-9(2)15-16-10(13)3/h5-8H,4,14H2,1-3H3,(H,15,16)
InChIKeyUWEOANXXBLAINH-UHFFFAOYSA-N
XLogP1.82
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-aminophenyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 62100660) is N-(2-aminophenyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminophenyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-aminophenyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide is CCN(c1ccccc1N)S(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-(2-aminophenyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is UWEOANXXBLAINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-4-17(12-8-6-5-7-11(12)14)20(18,19)13-9(2)15-16-10(13)3/h5-8H,4,14H2,1-3H3,(H,15,16).
What are the key properties of N-(2-aminophenyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(2-aminophenyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 62100660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).