2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetic acid

C16H11F6NO4S — CID 1486690

IUPAC2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetic acid
SMILESO=C(O)CN(c1ccccc1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H11F6NO4S/c17-15(18,19)10-6-11(16(20,21)22)8-13(7-10)28(26,27)23(9-14(24)25)12-4-2-1-3-5-12/h1-8H,9H2,(H,24,25)
InChIKeyDZVNTEUVHMSTAW-UHFFFAOYSA-N
MW427.32 g/mol
LogP4.00
Rot. Bonds5

About 2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetic acid

2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetic acid (PubChem CID 1486690) has the molecular formula C16H11F6NO4S and a molecular weight of 427.32 g/mol. Its IUPAC name is 2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetic acid
PubChem CID1486690
Molecular FormulaC16H11F6NO4S
Molecular Weight427.32 g/mol
Exact Mass427.03
IUPAC Name2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetic acid
SMILESO=C(O)CN(c1ccccc1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C16H11F6NO4S/c17-15(18,19)10-6-11(16(20,21)22)8-13(7-10)28(26,27)23(9-14(24)25)12-4-2-1-3-5-12/h1-8H,9H2,(H,24,25)
InChIKeyDZVNTEUVHMSTAW-UHFFFAOYSA-N
XLogP4.00
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid
CID 100531866
2-[N-naphthalen-1-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid
CID 86061923
2-(N-(4-aminophenyl)sulfonylanilino)acetic acid
CID 14423402
2-(N-(3-fluoro-4-methoxyphenyl)sulfonylanilino)acetic acid
CID 100541360
N-(3,5-dichlorophenyl)-N-phenyl-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 91309099
2-[N-(4-phenoxyphenyl)sulfonyl-4-(trifluoromethyl)anilino]acetamide
CID 166987972
2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid
CID 1486714
4-[carboxymethyl-(4-fluorophenyl)sulfonylamino]benzoic acid
CID 50894343
2-[N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)anilino]acetic acid
CID 18362326
2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl chloride
CID 50893250
2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid
CID 50890513
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-N-(2-methylphenyl)acetamide
CID 30169726

Frequently Asked Questions

What is the IUPAC name of 2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetic acid?
The IUPAC name of 2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetic acid (CID 1486690) is 2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetic acid.
What is the SMILES notation for 2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetic acid?
The canonical SMILES for 2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetic acid is O=C(O)CN(c1ccccc1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetic acid?
The InChIKey is DZVNTEUVHMSTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F6NO4S/c17-15(18,19)10-6-11(16(20,21)22)8-13(7-10)28(26,27)23(9-14(24)25)12-4-2-1-3-5-12/h1-8H,9H2,(H,24,25).
What are the key properties of 2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetic acid?
2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetic acid has a molecular weight of 427.32 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[3,5-bis(trifluoromethyl)phenyl]sulfonylanilino)acetic acid is sourced from PubChem (CID 1486690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).