5-ethyl-2-methoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide

C19H22N4O3S — CID 90588458

IUPAC5-ethyl-2-methoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)NCCn2ccc(-c3ccccn3)n2)c1
InChIInChI=1S/C19H22N4O3S/c1-3-15-7-8-18(26-2)19(14-15)27(24,25)21-11-13-23-12-9-17(22-23)16-6-4-5-10-20-16/h4-10,12,14,21H,3,11,13H2,1-2H3
InChIKeyNJTILFYKQHSHJP-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.49
Rot. Bonds8

About 5-ethyl-2-methoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide

5-ethyl-2-methoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 90588458) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 5-ethyl-2-methoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-ethyl-2-methoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
PubChem CID90588458
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name5-ethyl-2-methoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide
SMILESCCc1ccc(OC)c(S(=O)(=O)NCCn2ccc(-c3ccccn3)n2)c1
InChIInChI=1S/C19H22N4O3S/c1-3-15-7-8-18(26-2)19(14-15)27(24,25)21-11-13-23-12-9-17(22-23)16-6-4-5-10-20-16/h4-10,12,14,21H,3,11,13H2,1-2H3
InChIKeyNJTILFYKQHSHJP-UHFFFAOYSA-N
XLogP2.49
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-2-methoxy-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]benzenesulfonamide
CID 90589047
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
N-[4-[2-(3-pyridin-2-ylpyrazol-1-yl)ethylsulfamoyl]phenyl]acetamide
CID 90588452
5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459711
4-(aminomethyl)-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054609
2-methoxy-4,5-dimethyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716631
(E)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90588381
5-ethyl-2-methoxy-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 110757861
2-methoxy-5-methyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
CID 90588718
1-(2-fluorophenyl)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]methanesulfonamide
CID 90588515
3,4-dimethoxy-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]benzenesulfonamide
CID 90588175
5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 28717822

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-ethyl-2-methoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide (CID 90588458) is 5-ethyl-2-methoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-ethyl-2-methoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-ethyl-2-methoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide is CCc1ccc(OC)c(S(=O)(=O)NCCn2ccc(-c3ccccn3)n2)c1.
What is the InChIKey of 5-ethyl-2-methoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is NJTILFYKQHSHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-3-15-7-8-18(26-2)19(14-15)27(24,25)21-11-13-23-12-9-17(22-23)16-6-4-5-10-20-16/h4-10,12,14,21H,3,11,13H2,1-2H3.
What are the key properties of 5-ethyl-2-methoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide?
5-ethyl-2-methoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 386.48 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methoxy-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 90588458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).