N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide

C15H21N3O4S — CID 6464996

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)c2cc(OC)ccc2OC)cn1
InChIInChI=1S/C15H21N3O4S/c1-5-18-10-13(9-16-18)23(19,20)17-11(2)14-8-12(21-3)6-7-15(14)22-4/h6-11,17H,5H2,1-4H3
InChIKeyITOLANBGJRZQBJ-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.96
Rot. Bonds7

About N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide (PubChem CID 6464996) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
PubChem CID6464996
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NC(C)c2cc(OC)ccc2OC)cn1
InChIInChI=1S/C15H21N3O4S/c1-5-18-10-13(9-16-18)23(19,20)17-11(2)14-8-12(21-3)6-7-15(14)22-4/h6-11,17H,5H2,1-4H3
InChIKeyITOLANBGJRZQBJ-UHFFFAOYSA-N
XLogP1.96
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 19584255
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22206237
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 133178714
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 133219385
4-cyano-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 9190439
5-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]sulfamoyl]-N-ethyl-2-methoxybenzamide
CID 100553276
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22209016
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 51389866
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22206259
1-ethyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 6470938
1-bromo-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 99616093
1-(2,5-dimethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 115822910

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide (CID 6464996) is N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NC(C)c2cc(OC)ccc2OC)cn1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide?
The InChIKey is ITOLANBGJRZQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-5-18-10-13(9-16-18)23(19,20)17-11(2)14-8-12(21-3)6-7-15(14)22-4/h6-11,17H,5H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 6464996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).