[2-(2-chlorophenyl)-6-sulfamoyl-3-(trifluoromethoxy)phenyl] pentanoate

C18H17ClF3NO5S — CID 174236132

IUPAC[2-(2-chlorophenyl)-6-sulfamoyl-3-(trifluoromethoxy)phenyl] pentanoate
SMILESCCCCC(=O)Oc1c(S(N)(=O)=O)ccc(OC(F)(F)F)c1-c1ccccc1Cl
InChIInChI=1S/C18H17ClF3NO5S/c1-2-3-8-15(24)27-17-14(29(23,25)26)10-9-13(28-18(20,21)22)16(17)11-6-4-5-7-12(11)19/h4-7,9-10H,2-3,8H2,1H3,(H2,23,25,26)
InChIKeyMPHZLNRPRLXJKH-UHFFFAOYSA-N
MW451.85 g/mol
LogP4.65
Rot. Bonds7

About [2-(2-chlorophenyl)-6-sulfamoyl-3-(trifluoromethoxy)phenyl] pentanoate

[2-(2-chlorophenyl)-6-sulfamoyl-3-(trifluoromethoxy)phenyl] pentanoate (PubChem CID 174236132) has the molecular formula C18H17ClF3NO5S and a molecular weight of 451.85 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-6-sulfamoyl-3-(trifluoromethoxy)phenyl] pentanoate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-6-sulfamoyl-3-(trifluoromethoxy)phenyl] pentanoate
PubChem CID174236132
Molecular FormulaC18H17ClF3NO5S
Molecular Weight451.85 g/mol
Exact Mass451.05
IUPAC Name[2-(2-chlorophenyl)-6-sulfamoyl-3-(trifluoromethoxy)phenyl] pentanoate
SMILESCCCCC(=O)Oc1c(S(N)(=O)=O)ccc(OC(F)(F)F)c1-c1ccccc1Cl
InChIInChI=1S/C18H17ClF3NO5S/c1-2-3-8-15(24)27-17-14(29(23,25)26)10-9-13(28-18(20,21)22)16(17)11-6-4-5-7-12(11)19/h4-7,9-10H,2-3,8H2,1H3,(H2,23,25,26)
InChIKeyMPHZLNRPRLXJKH-UHFFFAOYSA-N
XLogP4.65
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.85
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-(2-chlorophenyl)-6-sulfamoyl-3-(trifluoromethoxy)phenyl] pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 134625852
[2-chloro-6-(1-phenylethoxy)phenyl] pentanoate
CID 70628580
(3-chloro-2-nonanoyloxyphenyl) nonanoate
CID 140675728
(2,3,6-trichlorophenyl) pentanoate
CID 154038193
4-[2-[3-butyl-4-[2-(trifluoromethoxy)phenyl]phenyl]-2-oxoethyl]-2-methylbenzenesulfonamide
CID 159818443
(2,4-dibromo-6-chlorophenyl) pentanoate
CID 90878938
(2-amino-3,5-dichlorophenyl) pentanoate
CID 174707649
10-O-(2,6-dichlorophenyl) 1-O-pentadecyl decanedioate
CID 91729717
[2-chloro-6-(1-phenylpropoxy)phenyl] pentanoate
CID 70629635
(2-amino-6-hydroxyphenyl) pentanoate
CID 91194875
(2-pentanoyloxyphenyl) hexanoate
CID 90024108
4-dodecoxynaphthalene-1-sulfonamide
CID 54239481

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-6-sulfamoyl-3-(trifluoromethoxy)phenyl] pentanoate?
The IUPAC name of [2-(2-chlorophenyl)-6-sulfamoyl-3-(trifluoromethoxy)phenyl] pentanoate (CID 174236132) is [2-(2-chlorophenyl)-6-sulfamoyl-3-(trifluoromethoxy)phenyl] pentanoate.
What is the SMILES notation for [2-(2-chlorophenyl)-6-sulfamoyl-3-(trifluoromethoxy)phenyl] pentanoate?
The canonical SMILES for [2-(2-chlorophenyl)-6-sulfamoyl-3-(trifluoromethoxy)phenyl] pentanoate is CCCCC(=O)Oc1c(S(N)(=O)=O)ccc(OC(F)(F)F)c1-c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)-6-sulfamoyl-3-(trifluoromethoxy)phenyl] pentanoate?
The InChIKey is MPHZLNRPRLXJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NO5S/c1-2-3-8-15(24)27-17-14(29(23,25)26)10-9-13(28-18(20,21)22)16(17)11-6-4-5-7-12(11)19/h4-7,9-10H,2-3,8H2,1H3,(H2,23,25,26).
What are the key properties of [2-(2-chlorophenyl)-6-sulfamoyl-3-(trifluoromethoxy)phenyl] pentanoate?
[2-(2-chlorophenyl)-6-sulfamoyl-3-(trifluoromethoxy)phenyl] pentanoate has a molecular weight of 451.85 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-6-sulfamoyl-3-(trifluoromethoxy)phenyl] pentanoate is sourced from PubChem (CID 174236132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).