N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H17N3O3S — CID 43091247

IUPACN-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C13H17N3O3S/c1-9-13(10(2)16-15-9)20(17,18)14-8-11-6-4-5-7-12(11)19-3/h4-7,14H,8H2,1-3H3,(H,15,16)
InChIKeyVWRMQPFEGGLYJJ-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.51
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 43091247) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID43091247
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C13H17N3O3S/c1-9-13(10(2)16-15-9)20(17,18)14-8-11-6-4-5-7-12(11)19-3/h4-7,14H,8H2,1-3H3,(H,15,16)
InChIKeyVWRMQPFEGGLYJJ-UHFFFAOYSA-N
XLogP1.51
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methoxyphenyl)butyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110409207
N-[(2-ethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 64696182
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113041736
N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 3238779
N-[2-(2,5-dimethoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110705723
3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 61022033
N-[(4-ethoxy-2,5-dimethylphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110780871
3-amino-N-[(2-methoxyphenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358092
N-[(2-methoxyphenyl)methyl]-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106046935
3,5-dimethyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 110322596
N-[[4-(hydroxymethyl)phenyl]methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 107232097
3,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 61285702

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 43091247) is N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is COc1ccccc1CNS(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is VWRMQPFEGGLYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-9-13(10(2)16-15-9)20(17,18)14-8-11-6-4-5-7-12(11)19-3/h4-7,14H,8H2,1-3H3,(H,15,16).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 43091247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).