4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide;4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C49H48F2N4O8S2 — CID 160552238

IUPAC4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide;4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCCc1ccc(Oc2ccc(S(=O)(=O)NCCc3ccccn3)cc2F)c(O)c1.CCc1ccc(Oc2ccc(S(=O)(=O)NCCc3ccccn3)cc2F)c(OCc2ccccc2)c1
InChIInChI=1S/C28H27FN2O4S.C21H21FN2O4S/c1-2-21-11-13-27(28(18-21)34-20-22-8-4-3-5-9-22)35-26-14-12-24(19-25(26)29)36(32,33)31-17-15-23-10-6-7-16-30-23;1-2-15-6-8-21(19(25)13-15)28-20-9-7-17(14-18(20)22)29(26,27)24-12-10-16-5-3-4-11-23-16/h3-14,16,18-19,31H,2,15,17,20H2,1H3;3-9,11,13-14,24-25H,2,10,12H2,1H3
InChIKeyQYFNZVBAGAYWAB-UHFFFAOYSA-N
MW923.07 g/mol
LogP9.48
Rot. Bonds19

About 4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide;4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide

4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide;4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 160552238) has the molecular formula C49H48F2N4O8S2 and a molecular weight of 923.07 g/mol. Its IUPAC name is 4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide;4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide;4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID160552238
Molecular FormulaC49H48F2N4O8S2
Molecular Weight923.07 g/mol
Exact Mass922.29
IUPAC Name4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide;4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCCc1ccc(Oc2ccc(S(=O)(=O)NCCc3ccccn3)cc2F)c(O)c1.CCc1ccc(Oc2ccc(S(=O)(=O)NCCc3ccccn3)cc2F)c(OCc2ccccc2)c1
InChIInChI=1S/C28H27FN2O4S.C21H21FN2O4S/c1-2-21-11-13-27(28(18-21)34-20-22-8-4-3-5-9-22)35-26-14-12-24(19-25(26)29)36(32,33)31-17-15-23-10-6-7-16-30-23;1-2-15-6-8-21(19(25)13-15)28-20-9-7-17(14-18(20)22)29(26,27)24-12-10-16-5-3-4-11-23-16/h3-14,16,18-19,31H,2,15,17,20H2,1H3;3-9,11,13-14,24-25H,2,10,12H2,1H3
InChIKeyQYFNZVBAGAYWAB-UHFFFAOYSA-N
XLogP9.48
TPSA166.04 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.07
LogP ≤ 59.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide;4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide with MolForge

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Related Compounds

4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoro-N-propylbenzenesulfonamide
CID 59191207
N-ethyl-4-(4-ethyl-2-hydroxyphenoxy)-3-fluorobenzenesulfonamide
CID 59191345
4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 59191347
4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoroaniline;4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorobenzenesulfonyl chloride
CID 159581179
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-fluorobenzenesulfonamide
CID 6737244
4-propyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 3704165
N'-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]propane-1,3-diamine
CID 59191220
4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 11271621
3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 63287946
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 11978994
N-(3-aminopropyl)-N-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluorophenyl]methanesulfonamide
CID 68549012
2-hydroxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 81241460

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide;4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide;4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 160552238) is 4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide;4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide;4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide;4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide is CCc1ccc(Oc2ccc(S(=O)(=O)NCCc3ccccn3)cc2F)c(O)c1.CCc1ccc(Oc2ccc(S(=O)(=O)NCCc3ccccn3)cc2F)c(OCc2ccccc2)c1.
What is the InChIKey of 4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide;4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is QYFNZVBAGAYWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN2O4S.C21H21FN2O4S/c1-2-21-11-13-27(28(18-21)34-20-22-8-4-3-5-9-22)35-26-14-12-24(19-25(26)29)36(32,33)31-17-15-23-10-6-7-16-30-23;1-2-15-6-8-21(19(25)13-15)28-20-9-7-17(14-18(20)22)29(26,27)24-12-10-16-5-3-4-11-23-16/h3-14,16,18-19,31H,2,15,17,20H2,1H3;3-9,11,13-14,24-25H,2,10,12H2,1H3.
What are the key properties of 4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide;4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide;4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 923.07 g/mol, XLogP of 9.48, 19 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide;4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 160552238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).