2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetate

C15H11F3NO4S- — CID 7042249

IUPAC2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetate
SMILESO=C([O-])Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H12F3NO4S/c16-15(17,18)11-2-1-3-13(9-11)24(22,23)19-12-6-4-10(5-7-12)8-14(20)21/h1-7,9,19H,8H2,(H,20,21)/p-1
InChIKeySQNFRPZHMDOZMJ-UHFFFAOYSA-M
MW358.32 g/mol
LogP1.80
Rot. Bonds5

About 2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetate

2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetate (PubChem CID 7042249) has the molecular formula C15H11F3NO4S- and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetate.

Molecular Properties

Compound Name2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetate
PubChem CID7042249
Molecular FormulaC15H11F3NO4S-
Molecular Weight358.32 g/mol
Exact Mass358.04
IUPAC Name2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetate
SMILESO=C([O-])Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H12F3NO4S/c16-15(17,18)11-2-1-3-13(9-11)24(22,23)19-12-6-4-10(5-7-12)8-14(20)21/h1-7,9,19H,8H2,(H,20,21)/p-1
InChIKeySQNFRPZHMDOZMJ-UHFFFAOYSA-M
XLogP1.80
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-{4-[(4-Methylphenyl)sulfamoyl]phenyl}propanoic acid
CID 973159
2-[4-[(2-Chlorophenyl)sulfonylamino]phenyl]acetic acid
CID 2465192
2-[4-(Naphthalene-2-sulfonamido)phenyl]acetic acid
CID 2412067
4-Fluoro-3-(phenylsulfamoyl)benzoic acid
CID 699907
4-[4-(Benzenesulfonylamino)-phenyl]-butyric acid
CID 9840035
ST50134595
CID 697779
3-[(4-Butylphenyl)sulfamoyl]benzoic acid
CID 2212515
2-[4-[(2-Bromophenyl)sulfonylamino]phenyl]acetic acid
CID 2561060
3-(Phenylsulfamoyl)benzoic acid
CID 759339
4-Benzenesulfonylaminophenylacetic acid
CID 10446995
2-[4-(Benzenesulfonamido)phenyl]propanoic acid
CID 44427702
2-[4-[(2-Ethylphenyl)sulfonylamino]phenyl]propanoic acid
CID 44427704

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetate?
The IUPAC name of 2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetate (CID 7042249) is 2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetate.
What is the SMILES notation for 2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetate?
The canonical SMILES for 2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetate is O=C([O-])Cc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetate?
The InChIKey is SQNFRPZHMDOZMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H12F3NO4S/c16-15(17,18)11-2-1-3-13(9-11)24(22,23)19-12-6-4-10(5-7-12)8-14(20)21/h1-7,9,19H,8H2,(H,20,21)/p-1.
What are the key properties of 2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetate?
2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetate has a molecular weight of 358.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetate is sourced from PubChem (CID 7042249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).