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

C18H20N4O2S — CID 90588125

IUPAC2-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C18H20N4O2S/c23-25(24,15-9-16-4-2-1-3-5-16)20-12-14-22-13-8-18(21-22)17-6-10-19-11-7-17/h1-8,10-11,13,20H,9,12,14-15H2
InChIKeyBJCPHJVWTXVHFF-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.11
Rot. Bonds8

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

2-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide (PubChem CID 90588125) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide
PubChem CID90588125
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name2-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C18H20N4O2S/c23-25(24,15-9-16-4-2-1-3-5-16)20-12-14-22-13-8-18(21-22)17-6-10-19-11-7-17/h1-8,10-11,13,20H,9,12,14-15H2
InChIKeyBJCPHJVWTXVHFF-UHFFFAOYSA-N
XLogP2.11
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide
CID 90588242
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
4-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]butanamide
CID 90588000
2-bromo-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588186
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-acetyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588145
N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide
CID 140993552
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenylethanesulfonamide
CID 16820346
3,4-dimethoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588175

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide?
The IUPAC name of 2-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide (CID 90588125) is 2-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for 2-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide?
The canonical SMILES for 2-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide is O=S(=O)(CCc1ccccc1)NCCn1ccc(-c2ccncc2)n1.
What is the InChIKey of 2-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide?
The InChIKey is BJCPHJVWTXVHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c23-25(24,15-9-16-4-2-1-3-5-16)20-12-14-22-13-8-18(21-22)17-6-10-19-11-7-17/h1-8,10-11,13,20H,9,12,14-15H2.
What are the key properties of 2-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide?
2-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 90588125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).