N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide

C12H15N3O3S — CID 6464754

IUPACN-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cn(C)nc2C)cc1
InChIInChI=1S/C12H15N3O3S/c1-9-12(8-15(2)13-9)19(16,17)14-10-4-6-11(18-3)7-5-10/h4-8,14H,1-3H3
InChIKeyOZFYKEPCQDFBIC-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.54
Rot. Bonds4

About N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide

N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 6464754) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID6464754
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cn(C)nc2C)cc1
InChIInChI=1S/C12H15N3O3S/c1-9-12(8-15(2)13-9)19(16,17)14-10-4-6-11(18-3)7-5-10/h4-8,14H,1-3H3
InChIKeyOZFYKEPCQDFBIC-UHFFFAOYSA-N
XLogP1.54
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide (CID 6464754) is N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide is COc1ccc(NS(=O)(=O)c2cn(C)nc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is OZFYKEPCQDFBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-9-12(8-15(2)13-9)19(16,17)14-10-4-6-11(18-3)7-5-10/h4-8,14H,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide?
N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 6464754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).