1-(methoxymethyl)-3,5-dimethyl-N-(2-thiophen-2-ylphenyl)pyrazole-4-sulfonamide

C17H19N3O3S2 — CID 99784462

IUPAC1-(methoxymethyl)-3,5-dimethyl-N-(2-thiophen-2-ylphenyl)pyrazole-4-sulfonamide
SMILESCOCn1nc(C)c(S(=O)(=O)Nc2ccccc2-c2cccs2)c1C
InChIInChI=1S/C17H19N3O3S2/c1-12-17(13(2)20(18-12)11-23-3)25(21,22)19-15-8-5-4-7-14(15)16-9-6-10-24-16/h4-10,19H,11H2,1-3H3
InChIKeyFWPHEXQGOHZJHX-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.63
Rot. Bonds6

About 1-(methoxymethyl)-3,5-dimethyl-N-(2-thiophen-2-ylphenyl)pyrazole-4-sulfonamide

1-(methoxymethyl)-3,5-dimethyl-N-(2-thiophen-2-ylphenyl)pyrazole-4-sulfonamide (PubChem CID 99784462) has the molecular formula C17H19N3O3S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-(methoxymethyl)-3,5-dimethyl-N-(2-thiophen-2-ylphenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(methoxymethyl)-3,5-dimethyl-N-(2-thiophen-2-ylphenyl)pyrazole-4-sulfonamide
PubChem CID99784462
Molecular FormulaC17H19N3O3S2
Molecular Weight377.49 g/mol
Exact Mass377.09
IUPAC Name1-(methoxymethyl)-3,5-dimethyl-N-(2-thiophen-2-ylphenyl)pyrazole-4-sulfonamide
SMILESCOCn1nc(C)c(S(=O)(=O)Nc2ccccc2-c2cccs2)c1C
InChIInChI=1S/C17H19N3O3S2/c1-12-17(13(2)20(18-12)11-23-3)25(21,22)19-15-8-5-4-7-14(15)16-9-6-10-24-16/h4-10,19H,11H2,1-3H3
InChIKeyFWPHEXQGOHZJHX-UHFFFAOYSA-N
XLogP3.63
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 60705383
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CID 106030234
N-methyl-4-[(2-thiophen-2-ylphenyl)sulfamoyl]benzamide
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2-(2-methoxyethylamino)-N-(2-thiophen-2-ylphenyl)acetamide;hydrochloride
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1-ethyl-3,5-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-4-sulfonamide
CID 122283263
1-ethyl-3,5-dimethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrazole-4-sulfonamide
CID 35764851
2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide
CID 8840935
N-(2-methoxyphenyl)-1-methyl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285186
N-[2-(4-ethoxyphenoxy)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823361
2,5-dimethyl-N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 121169927
N-(2-methoxyphenyl)-2-(3-methyl-4-thiophen-2-ylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19470056
N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-3,5-dimethyl-N-(2-thiophen-2-ylphenyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(methoxymethyl)-3,5-dimethyl-N-(2-thiophen-2-ylphenyl)pyrazole-4-sulfonamide (CID 99784462) is 1-(methoxymethyl)-3,5-dimethyl-N-(2-thiophen-2-ylphenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(methoxymethyl)-3,5-dimethyl-N-(2-thiophen-2-ylphenyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(methoxymethyl)-3,5-dimethyl-N-(2-thiophen-2-ylphenyl)pyrazole-4-sulfonamide is COCn1nc(C)c(S(=O)(=O)Nc2ccccc2-c2cccs2)c1C.
What is the InChIKey of 1-(methoxymethyl)-3,5-dimethyl-N-(2-thiophen-2-ylphenyl)pyrazole-4-sulfonamide?
The InChIKey is FWPHEXQGOHZJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S2/c1-12-17(13(2)20(18-12)11-23-3)25(21,22)19-15-8-5-4-7-14(15)16-9-6-10-24-16/h4-10,19H,11H2,1-3H3.
What are the key properties of 1-(methoxymethyl)-3,5-dimethyl-N-(2-thiophen-2-ylphenyl)pyrazole-4-sulfonamide?
1-(methoxymethyl)-3,5-dimethyl-N-(2-thiophen-2-ylphenyl)pyrazole-4-sulfonamide has a molecular weight of 377.49 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-3,5-dimethyl-N-(2-thiophen-2-ylphenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 99784462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).