N-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C14H19N3O4S — CID 26949775

IUPACN-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOc1cc(C)c(NS(=O)(=O)c2c(C)n[nH]c2C)cc1OC
InChIInChI=1S/C14H19N3O4S/c1-8-6-12(20-4)13(21-5)7-11(8)17-22(18,19)14-9(2)15-16-10(14)3/h6-7,17H,1-5H3,(H,15,16)
InChIKeyXZJJGAGHTSCTPP-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.15
Rot. Bonds5

About N-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 26949775) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID26949775
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC NameN-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOc1cc(C)c(NS(=O)(=O)c2c(C)n[nH]c2C)cc1OC
InChIInChI=1S/C14H19N3O4S/c1-8-6-12(20-4)13(21-5)7-11(8)17-22(18,19)14-9(2)15-16-10(14)3/h6-7,17H,1-5H3,(H,15,16)
InChIKeyXZJJGAGHTSCTPP-UHFFFAOYSA-N
XLogP2.15
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683826
N-(4-methoxy-2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110777753
N-(4,5-dimethoxy-2-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912107
N-(5-benzoyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110360096
N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60972945
3,5-dimethyl-N-(2-methyl-5-nitrophenyl)-1H-pyrazole-4-sulfonamide
CID 43398044
N-(4-methoxy-6-methylpyrimidin-2-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 104599523
N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866897
N-[4-(3,4-dimethylanilino)phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112986378
N-(4-bromo-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683527
N-(2-bromo-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 28939204
N-(2-chloro-4-hydroxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64787560

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 26949775) is N-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is COc1cc(C)c(NS(=O)(=O)c2c(C)n[nH]c2C)cc1OC.
What is the InChIKey of N-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is XZJJGAGHTSCTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-8-6-12(20-4)13(21-5)7-11(8)17-22(18,19)14-9(2)15-16-10(14)3/h6-7,17H,1-5H3,(H,15,16).
What are the key properties of N-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 325.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 26949775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).