N-(2-hydroxy-2-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C13H19N3O3S2 — CID 71806391

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C13H19N3O3S2/c1-9-12(10(2)16(4)15-9)21(18,19)14-8-13(3,17)11-6-5-7-20-11/h5-7,14,17H,8H2,1-4H3
InChIKeyHWWLJPBYOXOQOW-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.28
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 71806391) has the molecular formula C13H19N3O3S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID71806391
Molecular FormulaC13H19N3O3S2
Molecular Weight329.45 g/mol
Exact Mass329.09
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(C)(O)c1cccs1
InChIInChI=1S/C13H19N3O3S2/c1-9-12(10(2)16(4)15-9)21(18,19)14-8-13(3,17)11-6-5-7-20-11/h5-7,14,17H,8H2,1-4H3
InChIKeyHWWLJPBYOXOQOW-UHFFFAOYSA-N
XLogP1.28
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-trimethyl-N-(thien-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 3243813
N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806218
N-[2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 76147636
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-1-isopropyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 86264027
N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-1-methylpyrazole-4-sulfonamide
CID 99873682
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 56798634
1-(3-hydroxypropyl)-3,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 65731161
1-(2-hydroxyethyl)-3,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 65731168
1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methylthiophen-2-yl)methyl]pyrazole-4-sulfonamide
CID 65738869
1-ethyl-3,5-dimethyl-N-(thiophen-2-ylmethyl)pyrazole-4-sulfonamide
CID 71688192
N-(2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806222
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71810413

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 71806391) is N-(2-hydroxy-2-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC(C)(O)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is HWWLJPBYOXOQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S2/c1-9-12(10(2)16(4)15-9)21(18,19)14-8-13(3,17)11-6-5-7-20-11/h5-7,14,17H,8H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 329.45 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71806391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).