N-[2-[4-[1-(2,6-dichlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine

C23H20Cl2N4O3S — CID 1481486

IUPACN-[2-[4-[1-(2,6-dichlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine
SMILESCN(CCOc1ccc(-c2ccn(S(=O)(=O)c3c(Cl)cccc3Cl)n2)cc1)c1ccccn1
InChIInChI=1S/C23H20Cl2N4O3S/c1-28(22-7-2-3-13-26-22)15-16-32-18-10-8-17(9-11-18)21-12-14-29(27-21)33(30,31)23-19(24)5-4-6-20(23)25/h2-14H,15-16H2,1H3
InChIKeyCPMOHCCLSUVYHS-UHFFFAOYSA-N
MW503.41 g/mol
LogP5.00
Rot. Bonds8

About N-[2-[4-[1-(2,6-dichlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine

N-[2-[4-[1-(2,6-dichlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine (PubChem CID 1481486) has the molecular formula C23H20Cl2N4O3S and a molecular weight of 503.41 g/mol. Its IUPAC name is N-[2-[4-[1-(2,6-dichlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-[4-[1-(2,6-dichlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine
PubChem CID1481486
Molecular FormulaC23H20Cl2N4O3S
Molecular Weight503.41 g/mol
Exact Mass502.06
IUPAC NameN-[2-[4-[1-(2,6-dichlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine
SMILESCN(CCOc1ccc(-c2ccn(S(=O)(=O)c3c(Cl)cccc3Cl)n2)cc1)c1ccccn1
InChIInChI=1S/C23H20Cl2N4O3S/c1-28(22-7-2-3-13-26-22)15-16-32-18-10-8-17(9-11-18)21-12-14-29(27-21)33(30,31)23-19(24)5-4-6-20(23)25/h2-14H,15-16H2,1H3
InChIKeyCPMOHCCLSUVYHS-UHFFFAOYSA-N
XLogP5.00
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.41
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-{1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl}phenoxy)ethyl]-N-methyl-2-pyridinamine
CID 1481459
N-[2-(4-{1-[(4-chlorophenyl)sulfonyl]-1H-pyrazol-3-yl}phenoxy)ethyl]-N-methyl-2-pyridinamine
CID 1481460
N-methyl-N-(2-{4-[1-(1-naphthylsulfonyl)-1H-pyrazol-3-yl]phenoxy}ethyl)-2-pyridinamine
CID 1481480
N-(2-{4-[1-(mesitylsulfonyl)-1H-pyrazol-3-yl]phenoxy}ethyl)-N-methyl-2-pyridinamine
CID 1481484
5-chloro-4-[4-[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]phenoxy]-2-fluoro-N-(5-fluoropyridin-2-yl)benzenesulfonamide
CID 71716341
4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-N-(3,5-difluoro-2-pyridinyl)-3-fluorobenzenesulfonamide
CID 71716915
4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 71717573
N-(3-chloropyridin-2-yl)-3-cyano-4-[4-[2-ethyl-5-(trifluoromethyl)pyrazol-3-yl]phenoxy]benzenesulfonamide
CID 71718716
N-[3-[[4-[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]-2-pyridinyl]amino]propyl]-4-chlorobenzenesulfonamide
CID 166593703
N-[2-[[4-[1-tert-butyl-3-(3-methoxyphenyl)pyrazol-4-yl]-2-pyridinyl]amino]ethyl]-4-chlorobenzenesulfonamide
CID 177650741
4-[5-[4-[[2-(2,6-Dichlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methoxy]phenyl]pyridin-2-yl]morpholine
CID 59240324
2-(2-Fluoroethyl)-3-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1lambda6,2,4-benzothiadiazine 1,1-dioxide
CID 140627215

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(2,6-dichlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine?
The IUPAC name of N-[2-[4-[1-(2,6-dichlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine (CID 1481486) is N-[2-[4-[1-(2,6-dichlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for N-[2-[4-[1-(2,6-dichlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine?
The canonical SMILES for N-[2-[4-[1-(2,6-dichlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine is CN(CCOc1ccc(-c2ccn(S(=O)(=O)c3c(Cl)cccc3Cl)n2)cc1)c1ccccn1.
What is the InChIKey of N-[2-[4-[1-(2,6-dichlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine?
The InChIKey is CPMOHCCLSUVYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O3S/c1-28(22-7-2-3-13-26-22)15-16-32-18-10-8-17(9-11-18)21-12-14-29(27-21)33(30,31)23-19(24)5-4-6-20(23)25/h2-14H,15-16H2,1H3.
What are the key properties of N-[2-[4-[1-(2,6-dichlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine?
N-[2-[4-[1-(2,6-dichlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine has a molecular weight of 503.41 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-(2,6-dichlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 1481486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).