1-(benzenesulfonyl)-5-[1-(2,4-dichlorophenoxy)ethyl]pyrazole

C17H14Cl2N2O3S — CID 2766411

IUPAC1-(benzenesulfonyl)-5-[1-(2,4-dichlorophenoxy)ethyl]pyrazole
SMILESCC(Oc1ccc(Cl)cc1Cl)c1ccnn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H14Cl2N2O3S/c1-12(24-17-8-7-13(18)11-15(17)19)16-9-10-20-21(16)25(22,23)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyHEJFANYCHUZBEM-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.57
Rot. Bonds5

About 1-(benzenesulfonyl)-5-[1-(2,4-dichlorophenoxy)ethyl]pyrazole

1-(benzenesulfonyl)-5-[1-(2,4-dichlorophenoxy)ethyl]pyrazole (PubChem CID 2766411) has the molecular formula C17H14Cl2N2O3S and a molecular weight of 397.28 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-[1-(2,4-dichlorophenoxy)ethyl]pyrazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-[1-(2,4-dichlorophenoxy)ethyl]pyrazole
PubChem CID2766411
Molecular FormulaC17H14Cl2N2O3S
Molecular Weight397.28 g/mol
Exact Mass396.01
IUPAC Name1-(benzenesulfonyl)-5-[1-(2,4-dichlorophenoxy)ethyl]pyrazole
SMILESCC(Oc1ccc(Cl)cc1Cl)c1ccnn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H14Cl2N2O3S/c1-12(24-17-8-7-13(18)11-15(17)19)16-9-10-20-21(16)25(22,23)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyHEJFANYCHUZBEM-UHFFFAOYSA-N
XLogP4.57
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)propan-1-one
CID 26201301
7-[1-(2,4-dichlorophenoxy)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3801474
N-[2-(benzenesulfonyl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
CID 55734024
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
3-(2,4-dichlorophenoxy)pentane-1-sulfonic acid
CID 88683157
N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 4946409
phenacyl (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 1336816
2-[[5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 126011011
2-(2,4-dichlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 108736187
3-(2,4-dichlorophenoxy)-2-(tritylamino)butanoic acid
CID 118878739
5-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 2368015

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-[1-(2,4-dichlorophenoxy)ethyl]pyrazole?
The IUPAC name of 1-(benzenesulfonyl)-5-[1-(2,4-dichlorophenoxy)ethyl]pyrazole (CID 2766411) is 1-(benzenesulfonyl)-5-[1-(2,4-dichlorophenoxy)ethyl]pyrazole.
What is the SMILES notation for 1-(benzenesulfonyl)-5-[1-(2,4-dichlorophenoxy)ethyl]pyrazole?
The canonical SMILES for 1-(benzenesulfonyl)-5-[1-(2,4-dichlorophenoxy)ethyl]pyrazole is CC(Oc1ccc(Cl)cc1Cl)c1ccnn1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-5-[1-(2,4-dichlorophenoxy)ethyl]pyrazole?
The InChIKey is HEJFANYCHUZBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3S/c1-12(24-17-8-7-13(18)11-15(17)19)16-9-10-20-21(16)25(22,23)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of 1-(benzenesulfonyl)-5-[1-(2,4-dichlorophenoxy)ethyl]pyrazole?
1-(benzenesulfonyl)-5-[1-(2,4-dichlorophenoxy)ethyl]pyrazole has a molecular weight of 397.28 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-[1-(2,4-dichlorophenoxy)ethyl]pyrazole is sourced from PubChem (CID 2766411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).