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

C14H19N3O4S — CID 22202169

IUPACN-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)nn(C)c2C)cc1OC
InChIInChI=1S/C14H19N3O4S/c1-9-14(10(2)17(3)15-9)22(18,19)16-11-6-7-12(20-4)13(8-11)21-5/h6-8,16H,1-5H3
InChIKeyHVRCCGRLDSHJLB-UHFFFAOYSA-N
MW325.39 g/mol
LogP1.85
Rot. Bonds5

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

N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 22202169) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID22202169
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)nn(C)c2C)cc1OC
InChIInChI=1S/C14H19N3O4S/c1-9-14(10(2)17(3)15-9)22(18,19)16-11-6-7-12(20-4)13(8-11)21-5/h6-8,16H,1-5H3
InChIKeyHVRCCGRLDSHJLB-UHFFFAOYSA-N
XLogP1.85
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 22202169) is N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is COc1ccc(NS(=O)(=O)c2c(C)nn(C)c2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is HVRCCGRLDSHJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-9-14(10(2)17(3)15-9)22(18,19)16-11-6-7-12(20-4)13(8-11)21-5/h6-8,16H,1-5H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 325.39 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22202169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).