1-ethyl-N-(2-methoxy-2-phenylethyl)pyrazole-4-sulfonamide

C14H19N3O3S — CID 71997142

IUPAC1-ethyl-N-(2-methoxy-2-phenylethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(OC)c2ccccc2)cn1
InChIInChI=1S/C14H19N3O3S/c1-3-17-11-13(9-15-17)21(18,19)16-10-14(20-2)12-7-5-4-6-8-12/h4-9,11,14,16H,3,10H2,1-2H3
InChIKeyRWTXVFJICDKQGH-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.57
Rot. Bonds7

About 1-ethyl-N-(2-methoxy-2-phenylethyl)pyrazole-4-sulfonamide

1-ethyl-N-(2-methoxy-2-phenylethyl)pyrazole-4-sulfonamide (PubChem CID 71997142) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-ethyl-N-(2-methoxy-2-phenylethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(2-methoxy-2-phenylethyl)pyrazole-4-sulfonamide
PubChem CID71997142
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name1-ethyl-N-(2-methoxy-2-phenylethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(OC)c2ccccc2)cn1
InChIInChI=1S/C14H19N3O3S/c1-3-17-11-13(9-15-17)21(18,19)16-10-14(20-2)12-7-5-4-6-8-12/h4-9,11,14,16H,3,10H2,1-2H3
InChIKeyRWTXVFJICDKQGH-UHFFFAOYSA-N
XLogP1.57
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(4-methoxybenzyl)-1H-pyrazole-4-sulfonamide
CID 6470938
1-ethyl-N-[2-(2-methoxyphenyl)ethyl]pyrazole-4-sulfonamide
CID 6469348
3-(ethoxymethyl)-N-(1-ethylpyrazol-3-yl)benzenesulfonamide
CID 56731220
N-(1-ethylpyrazol-3-yl)-3-(methoxymethyl)benzenesulfonamide
CID 71688831
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzenesulfonamide
CID 71688832
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(propan-2-yloxymethyl)benzenesulfonamide
CID 71691361
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 71810691
1-Methyl-4-[3-(3-phenylpropoxy)pyrrolidin-1-yl]sulfonylpyrazole
CID 71860561
N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-ethylpyrazole-4-sulfonamide
CID 71997139
2-[2-(4-Methylpyrazol-1-yl)ethylamino]-1-(4-methylsulfonylphenyl)ethanol
CID 72142038
1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide
CID 75387058
1-ethyl-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide
CID 6464964

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-methoxy-2-phenylethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(2-methoxy-2-phenylethyl)pyrazole-4-sulfonamide (CID 71997142) is 1-ethyl-N-(2-methoxy-2-phenylethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(2-methoxy-2-phenylethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(2-methoxy-2-phenylethyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC(OC)c2ccccc2)cn1.
What is the InChIKey of 1-ethyl-N-(2-methoxy-2-phenylethyl)pyrazole-4-sulfonamide?
The InChIKey is RWTXVFJICDKQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-17-11-13(9-15-17)21(18,19)16-10-14(20-2)12-7-5-4-6-8-12/h4-9,11,14,16H,3,10H2,1-2H3.
What are the key properties of 1-ethyl-N-(2-methoxy-2-phenylethyl)pyrazole-4-sulfonamide?
1-ethyl-N-(2-methoxy-2-phenylethyl)pyrazole-4-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-methoxy-2-phenylethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 71997142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).