3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate

C16H13F3NO4S- — CID 9235026

IUPAC3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate
SMILESO=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H14F3NO4S/c17-16(18,19)12-2-1-3-13(10-12)20-25(23,24)14-7-4-11(5-8-14)6-9-15(21)22/h1-5,7-8,10,20H,6,9H2,(H,21,22)/p-1
InChIKeyAMMMLRBHMRCWBW-UHFFFAOYSA-M
MW372.34 g/mol
LogP2.19
Rot. Bonds6

About 3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate

3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate (PubChem CID 9235026) has the molecular formula C16H13F3NO4S- and a molecular weight of 372.34 g/mol. Its IUPAC name is 3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate.

Molecular Properties

Compound Name3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate
PubChem CID9235026
Molecular FormulaC16H13F3NO4S-
Molecular Weight372.34 g/mol
Exact Mass372.05
IUPAC Name3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate
SMILESO=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H14F3NO4S/c17-16(18,19)12-2-1-3-13(10-12)20-25(23,24)14-7-4-11(5-8-14)6-9-15(21)22/h1-5,7-8,10,20H,6,9H2,(H,21,22)/p-1
InChIKeyAMMMLRBHMRCWBW-UHFFFAOYSA-M
XLogP2.19
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanamide
CID 1304359
4-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22774180
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
N-methyl-N-(2,2,2-trifluoroethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 52599921
2-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 5203374
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 3458292
N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26823127
3-[4-[(4-phenylphenyl)sulfamoyl]phenyl]propanoate
CID 8009335
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3860471
4-[2-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]ethyl]benzoic acid;4-[2-[3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]ethyl]benzoic acid
CID 159129697
4-phenoxy-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3478087

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate?
The IUPAC name of 3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate (CID 9235026) is 3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate.
What is the SMILES notation for 3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate?
The canonical SMILES for 3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate is O=C([O-])CCc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate?
The InChIKey is AMMMLRBHMRCWBW-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14F3NO4S/c17-16(18,19)12-2-1-3-13(10-12)20-25(23,24)14-7-4-11(5-8-14)6-9-15(21)22/h1-5,7-8,10,20H,6,9H2,(H,21,22)/p-1.
What are the key properties of 3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate?
3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate has a molecular weight of 372.34 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]propanoate is sourced from PubChem (CID 9235026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).