N-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide

C13H17N3O3S — CID 71688314

IUPACN-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)cc1
InChIInChI=1S/C13H17N3O3S/c1-10(2)16-9-13(8-14-16)20(17,18)15-11-4-6-12(19-3)7-5-11/h4-10,15H,1-3H3
InChIKeyODXCQMAFABMVDV-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.27
Rot. Bonds5

About N-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide

N-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 71688314) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID71688314
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)cc1
InChIInChI=1S/C13H17N3O3S/c1-10(2)16-9-13(8-14-16)20(17,18)15-11-4-6-12(19-3)7-5-11/h4-10,15H,1-3H3
InChIKeyODXCQMAFABMVDV-UHFFFAOYSA-N
XLogP2.27
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-propan-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide
CID 71688373
N-(4-chlorophenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688376
1-propan-2-yl-N-(4-pyrazol-1-ylphenyl)pyrazole-4-sulfonamide
CID 71688270
N-methyl-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688421
N-(2-methylpyrazol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 139011594
N-(6-bromo-2-pyridinyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71993033
N-(2,3-dimethylphenyl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688335
N-methyl-4-(1-propan-2-ylpyrazol-4-yl)sulfonylaniline
CID 144625593
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688263
1-[5-(fluoromethyl)-3-iodo-2-pyridinyl]-N-(4-methoxyphenyl)pyrazole-4-sulfonamide
CID 70143150
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
methyl 3-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]benzoate
CID 86812919

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide (CID 71688314) is N-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide is COc1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is ODXCQMAFABMVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-10(2)16-9-13(8-14-16)20(17,18)15-11-4-6-12(19-3)7-5-11/h4-10,15H,1-3H3.
What are the key properties of N-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide?
N-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71688314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).