N-[(4-methoxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

C14H19N3O3S — CID 43398042

IUPACN-[(4-methoxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C14H19N3O3S/c1-10-14(11(2)16-15-10)21(18,19)17(3)9-12-5-7-13(20-4)8-6-12/h5-8H,9H2,1-4H3,(H,15,16)
InChIKeyNKFWFOQCUSQPGJ-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.86
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide

N-[(4-methoxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 43398042) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
PubChem CID43398042
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C14H19N3O3S/c1-10-14(11(2)16-15-10)21(18,19)17(3)9-12-5-7-13(20-4)8-6-12/h5-8H,9H2,1-4H3,(H,15,16)
InChIKeyNKFWFOQCUSQPGJ-UHFFFAOYSA-N
XLogP1.86
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 43402453
N-[(4-hydroxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 60959373
N,3,5-trimethyl-N-[(4-methylsulfanylphenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 43402461
N-[3-(4-methoxyphenyl)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110288674
N,3,5-trimethyl-N-[(3-methylthiophen-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 60700177
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113041814
1-(4-methoxyphenyl)-N-methyl-N-(methylsulfonimidoyl)methanamine
CID 118673841
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112502925
N-[(2,4-dichlorophenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 43401755
2-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
CID 63946400
N-[(1-ethylpyrazol-3-yl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 29089957
N-benzyl-3,5-dimethyl-N-phenyl-1H-pyrazole-4-sulfonamide
CID 75366177

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide (CID 43398042) is N-[(4-methoxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is COc1ccc(CN(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is NKFWFOQCUSQPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-10-14(11(2)16-15-10)21(18,19)17(3)9-12-5-7-13(20-4)8-6-12/h5-8H,9H2,1-4H3,(H,15,16).
What are the key properties of N-[(4-methoxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide?
N-[(4-methoxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43398042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).