1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide

C13H17N3O3S — CID 6470938

IUPAC1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccc(OC)cc2)cn1
InChIInChI=1S/C13H17N3O3S/c1-3-16-10-13(9-14-16)20(17,18)15-8-11-4-6-12(19-2)7-5-11/h4-7,9-10,15H,3,8H2,1-2H3
InChIKeyZMMFVBJULMUVOD-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.39
Rot. Bonds6

About 1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide

1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide (PubChem CID 6470938) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
PubChem CID6470938
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCc2ccc(OC)cc2)cn1
InChIInChI=1S/C13H17N3O3S/c1-3-16-10-13(9-14-16)20(17,18)15-8-11-4-6-12(19-2)7-5-11/h4-7,9-10,15H,3,8H2,1-2H3
InChIKeyZMMFVBJULMUVOD-UHFFFAOYSA-N
XLogP1.39
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[(4-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 19582268
1-ethyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
CID 19683256
1-(2-aminoethyl)-N-[(4-ethylphenyl)methyl]pyrazole-4-sulfonamide
CID 106088936
1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 17060302
N-[2-(4-chlorophenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 19680759
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-sulfonamide
CID 82222818
N-[(5-bromopyrimidin-2-yl)methyl]-1-ethylpyrazole-4-sulfonamide
CID 154787180
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 6464996
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
N-[(4-methoxyphenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332057
1-ethyl-N-[4-(ethylsulfamoyl)phenyl]pyrazole-4-sulfonamide
CID 22203400

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide (CID 6470938) is 1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCc2ccc(OC)cc2)cn1.
What is the InChIKey of 1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is ZMMFVBJULMUVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-16-10-13(9-14-16)20(17,18)15-8-11-4-6-12(19-2)7-5-11/h4-7,9-10,15H,3,8H2,1-2H3.
What are the key properties of 1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide?
1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 6470938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).