2-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide

C18H20N4O3S — CID 90588242

IUPAC2-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C18H20N4O3S/c23-26(24,15-14-25-17-4-2-1-3-5-17)20-11-13-22-12-8-18(21-22)16-6-9-19-10-7-16/h1-10,12,20H,11,13-15H2
InChIKeyVVPGINVOVQMLTC-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.94
Rot. Bonds9

About 2-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide

2-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide (PubChem CID 90588242) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide
PubChem CID90588242
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C18H20N4O3S/c23-26(24,15-14-25-17-4-2-1-3-5-17)20-11-13-22-12-8-18(21-22)16-6-9-19-10-7-16/h1-10,12,20H,11,13-15H2
InChIKeyVVPGINVOVQMLTC-UHFFFAOYSA-N
XLogP1.94
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide 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

2-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide
CID 90588125
N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenoxyethanesulfonamide
CID 72718711
1-(2-chlorophenyl)-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]methanesulfonamide
CID 90588160
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 90588192
2-bromo-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588186
4-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzamide
CID 90588080
3-methyl-4-propoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588184
4-nitro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588155
4-propan-2-yl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588149
5-chloro-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 71807866
3,4-dimethoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588175
3-acetyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588145

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide (CID 90588242) is 2-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide is O=S(=O)(CCOc1ccccc1)NCCn1ccc(-c2ccncc2)n1.
What is the InChIKey of 2-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide?
The InChIKey is VVPGINVOVQMLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c23-26(24,15-14-25-17-4-2-1-3-5-17)20-11-13-22-12-8-18(21-22)16-6-9-19-10-7-16/h1-10,12,20H,11,13-15H2.
What are the key properties of 2-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide?
2-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 1.94, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 90588242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).