N-(4-methoxy-2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C14H19N3O3S — CID 110777753

IUPACN-(4-methoxy-2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)c(C)c1C
InChIInChI=1S/C14H19N3O3S/c1-8-9(2)13(20-5)7-6-12(8)17-21(18,19)14-10(3)15-16-11(14)4/h6-7,17H,1-5H3,(H,15,16)
InChIKeyIFELNCXIZNCSAX-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.45
Rot. Bonds4

About N-(4-methoxy-2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(4-methoxy-2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 110777753) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(4-methoxy-2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID110777753
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-(4-methoxy-2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)c(C)c1C
InChIInChI=1S/C14H19N3O3S/c1-8-9(2)13(20-5)7-6-12(8)17-21(18,19)14-10(3)15-16-11(14)4/h6-7,17H,1-5H3,(H,15,16)
InChIKeyIFELNCXIZNCSAX-UHFFFAOYSA-N
XLogP2.45
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 26949775
N-(3-amino-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60972945
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683826
N-(5-benzoyl-2-methoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110360096
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
N-(2-methoxyphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106044765
N-(1H-indazol-4-yl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 47267980
N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091247
N-(3-chloro-4-propan-2-yloxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 38943082
N-(3-fluoro-4-propan-2-yloxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110777500

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-methoxy-2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 110777753) is N-(4-methoxy-2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-methoxy-2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-methoxy-2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is COc1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)c(C)c1C.
What is the InChIKey of N-(4-methoxy-2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is IFELNCXIZNCSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-8-9(2)13(20-5)7-6-12(8)17-21(18,19)14-10(3)15-16-11(14)4/h6-7,17H,1-5H3,(H,15,16).
What are the key properties of N-(4-methoxy-2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(4-methoxy-2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110777753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).