N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide

C15H21N3O4S — CID 22203281

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)NCc2ccc(OC)c(OC)c2)c1C
InChIInChI=1S/C15H21N3O4S/c1-5-18-11(2)15(10-16-18)23(19,20)17-9-12-6-7-13(21-3)14(8-12)22-4/h6-8,10,17H,5,9H2,1-4H3
InChIKeyFKHHRLSTKQYWMT-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.71
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide

N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide (PubChem CID 22203281) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
PubChem CID22203281
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)NCc2ccc(OC)c(OC)c2)c1C
InChIInChI=1S/C15H21N3O4S/c1-5-18-11(2)15(10-16-18)23(19,20)17-9-12-6-7-13(21-3)14(8-12)22-4/h6-8,10,17H,5,9H2,1-4H3
InChIKeyFKHHRLSTKQYWMT-UHFFFAOYSA-N
XLogP1.71
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 94633814
N-[(3,4-dimethoxyphenyl)methyl]-1-(1-ethyl-5-methylpyrazol-4-yl)ethanamine
CID 19625214
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19584255
N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 7938177
N-[(3,4-dimethoxyphenyl)methyl]naphthalene-1-sulfonamide
CID 3801586
2-(3,4-dimethoxyphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]ethanamine
CID 19619312
methyl 2-[(1-ethyl-5-methylpyrazol-4-yl)sulfonylamino]-4,5-dimethoxybenzoate
CID 22774347
N-[2-(4-chlorophenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19680760
N-[(3,4-dimethoxyphenyl)methyl]-4-methylsulfonylbenzenesulfonamide
CID 46556031
N-[(3,4-dimethoxyphenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 138550874
N-[(3,4-dimethoxyphenyl)methyl]-8-methylquinoline-5-sulfonamide
CID 134034376
N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102691685

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide (CID 22203281) is N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)NCc2ccc(OC)c(OC)c2)c1C.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The InChIKey is FKHHRLSTKQYWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-5-18-11(2)15(10-16-18)23(19,20)17-9-12-6-7-13(21-3)14(8-12)22-4/h6-8,10,17H,5,9H2,1-4H3.
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 22203281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).