N-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C13H15N3O3S — CID 106913044

IUPACN-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1cccc(C=O)c1
InChIInChI=1S/C13H15N3O3S/c1-9-13(10(2)16(3)14-9)20(18,19)15-12-6-4-5-11(7-12)8-17/h4-8,15H,1-3H3
InChIKeyXEDFSQRWNOZWEK-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.65
Rot. Bonds4

About N-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 106913044) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID106913044
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)Nc1cccc(C=O)c1
InChIInChI=1S/C13H15N3O3S/c1-9-13(10(2)16(3)14-9)20(18,19)15-12-6-4-5-11(7-12)8-17/h4-8,15H,1-3H3
InChIKeyXEDFSQRWNOZWEK-UHFFFAOYSA-N
XLogP1.65
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-formylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 106913000
N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 3682880
N-(2,6-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822901
4-[3-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]benzamide
CID 141199028
N-(5-bromonaphthalen-2-yl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 146022108
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 62061884
N-(3-bromo-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 104779597
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22202693
N-[4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22774832
N-(3-formylphenyl)-1-methylpyrazole-4-sulfonamide
CID 106912960
N-[4-bromo-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823248
N-(4-acetylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822254

Frequently Asked Questions

What is the IUPAC name of N-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 106913044) is N-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)Nc1cccc(C=O)c1.
What is the InChIKey of N-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is XEDFSQRWNOZWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-9-13(10(2)16(3)14-9)20(18,19)15-12-6-4-5-11(7-12)8-17/h4-8,15H,1-3H3.
What are the key properties of N-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 106913044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).