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

C23H21ClN4O3S — CID 1481460

IUPACN-[2-[4-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine
SMILESCN(CCOc1ccc(-c2ccn(S(=O)(=O)c3ccc(Cl)cc3)n2)cc1)c1ccccn1
InChIInChI=1S/C23H21ClN4O3S/c1-27(23-4-2-3-14-25-23)16-17-31-20-9-5-18(6-10-20)22-13-15-28(26-22)32(29,30)21-11-7-19(24)8-12-21/h2-15H,16-17H2,1H3
InChIKeyMIQIVVAHBIYDOP-UHFFFAOYSA-N
MW468.97 g/mol
LogP4.35
Rot. Bonds8

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

N-[2-[4-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine (PubChem CID 1481460) has the molecular formula C23H21ClN4O3S and a molecular weight of 468.97 g/mol. Its IUPAC name is N-[2-[4-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-[4-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine
PubChem CID1481460
Molecular FormulaC23H21ClN4O3S
Molecular Weight468.97 g/mol
Exact Mass468.10
IUPAC NameN-[2-[4-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine
SMILESCN(CCOc1ccc(-c2ccn(S(=O)(=O)c3ccc(Cl)cc3)n2)cc1)c1ccccn1
InChIInChI=1S/C23H21ClN4O3S/c1-27(23-4-2-3-14-25-23)16-17-31-20-9-5-18(6-10-20)22-13-15-28(26-22)32(29,30)21-11-7-19(24)8-12-21/h2-15H,16-17H2,1H3
InChIKeyMIQIVVAHBIYDOP-UHFFFAOYSA-N
XLogP4.35
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.97
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-4-[4-fluoro-2-(2-methylpyrazol-3-yl)phenoxy]-N-pyrimidin-4-ylbenzenesulfonamide
CID 71718040
4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-fluoro-N-pyrimidin-4-ylbenzenesulfonamide
CID 71719244
N-[2-(4-{1-[(4-methoxyphenyl)sulfonyl]-1H-pyrazol-3-yl}phenoxy)ethyl]-N-methyl-2-pyridinamine
CID 1481459
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
2-[5-(4-Ethoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-5-methanesulfonyl-pyridine
CID 44387062
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-cyano-N-pyridin-2-ylbenzenesulfonamide
CID 71717563
4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 71717573
N-[2-(4-{1-[(2,6-dichlorophenyl)sulfonyl]-1H-pyrazol-3-yl}phenoxy)ethyl]-N-methyl-2-pyridinamine
CID 1481486
4-[2-[[2-[4-(2-Morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]benzenesulfonamide
CID 46943565

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine?
The IUPAC name of N-[2-[4-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine (CID 1481460) is N-[2-[4-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine.
What is the SMILES notation for N-[2-[4-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine?
The canonical SMILES for N-[2-[4-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine is CN(CCOc1ccc(-c2ccn(S(=O)(=O)c3ccc(Cl)cc3)n2)cc1)c1ccccn1.
What is the InChIKey of N-[2-[4-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine?
The InChIKey is MIQIVVAHBIYDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3S/c1-27(23-4-2-3-14-25-23)16-17-31-20-9-5-18(6-10-20)22-13-15-28(26-22)32(29,30)21-11-7-19(24)8-12-21/h2-15H,16-17H2,1H3.
What are the key properties of N-[2-[4-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine?
N-[2-[4-[1-(4-chlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine has a molecular weight of 468.97 g/mol, XLogP of 4.35, 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-(4-chlorophenyl)sulfonylpyrazol-3-yl]phenoxy]ethyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 1481460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).