N-[2-[4-[1-(4-methoxyphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine

C24H24N4O4S — CID 1481459

IUPACN-[2-[4-[1-(4-methoxyphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine
SMILESCOc1ccc(S(=O)(=O)n2ccc(-c3ccc(OCCN(C)c4ccccn4)cc3)n2)cc1
InChIInChI=1S/C24H24N4O4S/c1-27(24-5-3-4-15-25-24)17-18-32-21-8-6-19(7-9-21)23-14-16-28(26-23)33(29,30)22-12-10-20(31-2)11-13-22/h3-16H,17-18H2,1-2H3
InChIKeyONGSIKNXNHVPJC-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.71
Rot. Bonds9

About N-[2-[4-[1-(4-methoxyphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine

N-[2-[4-[1-(4-methoxyphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine (PubChem CID 1481459) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[2-[4-[1-(4-methoxyphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-[4-[1-(4-methoxyphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine
PubChem CID1481459
Molecular FormulaC24H24N4O4S
Molecular Weight464.55 g/mol
Exact Mass464.15
IUPAC NameN-[2-[4-[1-(4-methoxyphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine
SMILESCOc1ccc(S(=O)(=O)n2ccc(-c3ccc(OCCN(C)c4ccccn4)cc3)n2)cc1
InChIInChI=1S/C24H24N4O4S/c1-27(24-5-3-4-15-25-24)17-18-32-21-8-6-19(7-9-21)23-14-16-28(26-23)33(29,30)22-12-10-20(31-2)11-13-22/h3-16H,17-18H2,1-2H3
InChIKeyONGSIKNXNHVPJC-UHFFFAOYSA-N
XLogP3.71
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-N-[3-(1H-pyrazol-1-yl)propyl]pyrimidin-4-amine
CID 137796292
2-[3-Difluoromethyl-5-(2-fluoro-4-methoxy-phenyl)-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10111401
2-[3-Difluoromethyl-5-(3-fluoro-4-methoxy-phenyl)-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10135415
2-[5-(3-Fluoro-4-methoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10158760
2-[5-(2-Fluoro-4-methoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 10158761
5-Methanesulfonyl-2-[5-(4-methoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-pyridine
CID 18624120
2,5-Difluoro-4-{[(1S*,2R*)-2-(1-methyl-1H-pyrazol-5-yl)cyclohexyl]oxy}-N-(pyrimidin-4-yl)benzenesulfonamide
CID 71711783
2,5-Difluoro-4-{[(1S*,2R*)-2-(1-methyl-1H-pyrazol-5-yl)cyclopentyl]oxy}-N-(pyrimidin-4-yl)benzenesulfonamide
CID 71711785
3-fluoro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-pyrimidin-4-ylbenzenesulfonamide
CID 71719223
3-cyano-4-[4-[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]phenoxy]-N-pyrimidin-2-ylbenzenesulfonamide
CID 71719984
5-Ethyl-2-fluoro-4-{[(1S*,2R*)-2-(1-methyl-1H-pyrazol-5-yl)cyclopentyl]oxy}-N-(pyrimidin-4-yl)benzenesulfonamide
CID 89963001
2,6-Difluoro-4-{[(1S*,2R*)-2-(1-methyl-1H-pyrazol-5-yl)cyclopentyl]oxy}-N-(pyrimidin-4-yl)benzenesulfonamide
CID 89963394

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(4-methoxyphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine?
The IUPAC name of N-[2-[4-[1-(4-methoxyphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine (CID 1481459) is N-[2-[4-[1-(4-methoxyphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for N-[2-[4-[1-(4-methoxyphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine?
The canonical SMILES for N-[2-[4-[1-(4-methoxyphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine is COc1ccc(S(=O)(=O)n2ccc(-c3ccc(OCCN(C)c4ccccn4)cc3)n2)cc1.
What is the InChIKey of N-[2-[4-[1-(4-methoxyphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine?
The InChIKey is ONGSIKNXNHVPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-27(24-5-3-4-15-25-24)17-18-32-21-8-6-19(7-9-21)23-14-16-28(26-23)33(29,30)22-12-10-20(31-2)11-13-22/h3-16H,17-18H2,1-2H3.
What are the key properties of N-[2-[4-[1-(4-methoxyphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine?
N-[2-[4-[1-(4-methoxyphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine has a molecular weight of 464.55 g/mol, XLogP of 3.71, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-(4-methoxyphenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 1481459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).