N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide

C14H19N3O3S — CID 6464697

IUPACN-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)c1cn(C)nc1C
InChIInChI=1S/C14H19N3O3S/c1-11-14(10-17(2)16-11)21(18,19)15-9-8-12-6-4-5-7-13(12)20-3/h4-7,10,15H,8-9H2,1-3H3
InChIKeyBWEYKOGGRYRDBB-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.26
Rot. Bonds6

About N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide

N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 6464697) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID6464697
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCOc1ccccc1CCNS(=O)(=O)c1cn(C)nc1C
InChIInChI=1S/C14H19N3O3S/c1-11-14(10-17(2)16-11)21(18,19)15-9-8-12-6-4-5-7-13(12)20-3/h4-7,10,15H,8-9H2,1-3H3
InChIKeyBWEYKOGGRYRDBB-UHFFFAOYSA-N
XLogP1.26
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(E)-(1-ethyl-3-methylpyrazol-4-yl)methylideneamino]-4-methoxybenzenesulfonamide
CID 7765645
1-ethyl-N-(4-methoxybenzyl)-1H-pyrazole-4-sulfonamide
CID 6470938
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-1H-pyrazole-4-sulfonamide
CID 6466482
N-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
CID 24768971
N-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1509138
N-(2-methoxy-5-methylphenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1509136
N-[2-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)ethyl]-4-methoxybenzenesulfonamide
CID 3784350
N-[2-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 3788341
N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 20914801
5-fluoro-N-{1-[1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}-2-methylbenzenesulfonamide
CID 24791402
N-({1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methyl)-4-methoxybenzenesulfonamide
CID 24793123
N-(4-methoxyphenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6464754

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 6464697) is N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide is COc1ccccc1CCNS(=O)(=O)c1cn(C)nc1C.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is BWEYKOGGRYRDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-11-14(10-17(2)16-11)21(18,19)15-9-8-12-6-4-5-7-13(12)20-3/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 6464697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).