methyl 5-[[4-(3-chloro-4-fluorophenoxy)phenyl]-ethylsulfamoyl]-2-ethylbenzoate

C24H23ClFNO5S — CID 69234078

IUPACmethyl 5-[[4-(3-chloro-4-fluorophenoxy)phenyl]-ethylsulfamoyl]-2-ethylbenzoate
SMILESCCc1ccc(S(=O)(=O)N(CC)c2ccc(Oc3ccc(F)c(Cl)c3)cc2)cc1C(=O)OC
InChIInChI=1S/C24H23ClFNO5S/c1-4-16-6-12-20(15-21(16)24(28)31-3)33(29,30)27(5-2)17-7-9-18(10-8-17)32-19-11-13-23(26)22(25)14-19/h6-15H,4-5H2,1-3H3
InChIKeyCULKZXWVDNXETN-UHFFFAOYSA-N
MW491.97 g/mol
LogP5.84
Rot. Bonds8

About methyl 5-[[4-(3-chloro-4-fluorophenoxy)phenyl]-ethylsulfamoyl]-2-ethylbenzoate

methyl 5-[[4-(3-chloro-4-fluorophenoxy)phenyl]-ethylsulfamoyl]-2-ethylbenzoate (PubChem CID 69234078) has the molecular formula C24H23ClFNO5S and a molecular weight of 491.97 g/mol. Its IUPAC name is methyl 5-[[4-(3-chloro-4-fluorophenoxy)phenyl]-ethylsulfamoyl]-2-ethylbenzoate.

Molecular Properties

Compound Namemethyl 5-[[4-(3-chloro-4-fluorophenoxy)phenyl]-ethylsulfamoyl]-2-ethylbenzoate
PubChem CID69234078
Molecular FormulaC24H23ClFNO5S
Molecular Weight491.97 g/mol
Exact Mass491.10
IUPAC Namemethyl 5-[[4-(3-chloro-4-fluorophenoxy)phenyl]-ethylsulfamoyl]-2-ethylbenzoate
SMILESCCc1ccc(S(=O)(=O)N(CC)c2ccc(Oc3ccc(F)c(Cl)c3)cc2)cc1C(=O)OC
InChIInChI=1S/C24H23ClFNO5S/c1-4-16-6-12-20(15-21(16)24(28)31-3)33(29,30)27(5-2)17-7-9-18(10-8-17)32-19-11-13-23(26)22(25)14-19/h6-15H,4-5H2,1-3H3
InChIKeyCULKZXWVDNXETN-UHFFFAOYSA-N
XLogP5.84
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.97
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[4-(3-chloro-4-fluorophenoxy)phenyl]-ethylsulfamoyl]-2-ethylbenzoate with MolForge

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Related Compounds

methyl 5-[[4-(3-chloro-4-fluorophenoxy)phenyl]-ethylsulfamoyl]-2,3-dimethylbenzoate
CID 69233929
methyl 2-ethyl-5-[ethyl-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfamoyl]benzoate
CID 69235608
methyl 5-[ethyl-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfamoyl]-2-methylbenzoate
CID 69235853
3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 28534252
methyl 5-[ethyl-(4-pyridin-4-yloxyphenyl)sulfamoyl]-2,3-dimethylbenzoate
CID 69236510
methyl 2-chloro-5-[ethyl-(4-nitrophenyl)sulfonylamino]benzoate
CID 100529126
methyl 5-[ethyl-[4-(4-propan-2-yloxyphenyl)phenyl]sulfamoyl]-2-methylbenzoate
CID 69235120
methyl 5-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-propylsulfamoyl]-2-ethylbenzoate
CID 90812928
methyl 2-ethyl-5-[ethyl-[2-(2-phenylphenyl)-1,3-thiazol-5-yl]sulfamoyl]benzoate
CID 91605401
(4-methoxycarbonylphenyl) 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 8961276
3-chloro-N-[(3-chlorophenyl)methyl]-4-fluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 46022998
5-[ethyl-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfamoyl]-2,3-dimethylbenzoic acid
CID 69236555

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(3-chloro-4-fluorophenoxy)phenyl]-ethylsulfamoyl]-2-ethylbenzoate?
The IUPAC name of methyl 5-[[4-(3-chloro-4-fluorophenoxy)phenyl]-ethylsulfamoyl]-2-ethylbenzoate (CID 69234078) is methyl 5-[[4-(3-chloro-4-fluorophenoxy)phenyl]-ethylsulfamoyl]-2-ethylbenzoate.
What is the SMILES notation for methyl 5-[[4-(3-chloro-4-fluorophenoxy)phenyl]-ethylsulfamoyl]-2-ethylbenzoate?
The canonical SMILES for methyl 5-[[4-(3-chloro-4-fluorophenoxy)phenyl]-ethylsulfamoyl]-2-ethylbenzoate is CCc1ccc(S(=O)(=O)N(CC)c2ccc(Oc3ccc(F)c(Cl)c3)cc2)cc1C(=O)OC.
What is the InChIKey of methyl 5-[[4-(3-chloro-4-fluorophenoxy)phenyl]-ethylsulfamoyl]-2-ethylbenzoate?
The InChIKey is CULKZXWVDNXETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFNO5S/c1-4-16-6-12-20(15-21(16)24(28)31-3)33(29,30)27(5-2)17-7-9-18(10-8-17)32-19-11-13-23(26)22(25)14-19/h6-15H,4-5H2,1-3H3.
What are the key properties of methyl 5-[[4-(3-chloro-4-fluorophenoxy)phenyl]-ethylsulfamoyl]-2-ethylbenzoate?
methyl 5-[[4-(3-chloro-4-fluorophenoxy)phenyl]-ethylsulfamoyl]-2-ethylbenzoate has a molecular weight of 491.97 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(3-chloro-4-fluorophenoxy)phenyl]-ethylsulfamoyl]-2-ethylbenzoate is sourced from PubChem (CID 69234078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).