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

C16H23N3O4S — CID 19584255

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)NC(C)c2cc(OC)ccc2OC)c1C
InChIInChI=1S/C16H23N3O4S/c1-6-19-12(3)16(10-17-19)24(20,21)18-11(2)14-9-13(22-4)7-8-15(14)23-5/h7-11,18H,6H2,1-5H3
InChIKeyBXTIIMJFGYACDR-UHFFFAOYSA-N
MW353.44 g/mol
LogP2.27
Rot. Bonds7

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

N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide (PubChem CID 19584255) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
PubChem CID19584255
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
SMILESCCn1ncc(S(=O)(=O)NC(C)c2cc(OC)ccc2OC)c1C
InChIInChI=1S/C16H23N3O4S/c1-6-19-12(3)16(10-17-19)24(20,21)18-11(2)14-9-13(22-4)7-8-15(14)23-5/h7-11,18H,6H2,1-5H3
InChIKeyBXTIIMJFGYACDR-UHFFFAOYSA-N
XLogP2.27
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22209016
1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide
CID 6464788
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethylpyrazole-4-sulfonamide
CID 6464996
4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 24671593
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 51389866
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22206259
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22206237
5-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 9190490
N-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-5-methylpyrazole-4-sulfonamide
CID 22203281
2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404832
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 133178714
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 133219385

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide (CID 19584255) is N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide is CCn1ncc(S(=O)(=O)NC(C)c2cc(OC)ccc2OC)c1C.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
The InChIKey is BXTIIMJFGYACDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-6-19-12(3)16(10-17-19)24(20,21)18-11(2)14-9-13(22-4)7-8-15(14)23-5/h7-11,18H,6H2,1-5H3.
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-ethyl-5-methylpyrazole-4-sulfonamide has a molecular weight of 353.44 g/mol, XLogP of 2.27, 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-ethyl-5-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 19584255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).