2-[2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid

C15H9Cl3F3NO4S — CID 50893609

IUPAC2-[2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid
SMILESO=C(O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H9Cl3F3NO4S/c16-9-2-4-11(18)13(6-9)27(25,26)22(7-14(23)24)12-5-8(15(19,20)21)1-3-10(12)17/h1-6H,7H2,(H,23,24)
InChIKeyOCBWRDYIEVIVIP-UHFFFAOYSA-N
MW462.66 g/mol
LogP4.95
Rot. Bonds5

About 2-[2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid

2-[2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid (PubChem CID 50893609) has the molecular formula C15H9Cl3F3NO4S and a molecular weight of 462.66 g/mol. Its IUPAC name is 2-[2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid
PubChem CID50893609
Molecular FormulaC15H9Cl3F3NO4S
Molecular Weight462.66 g/mol
Exact Mass460.93
IUPAC Name2-[2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid
SMILESO=C(O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H9Cl3F3NO4S/c16-9-2-4-11(18)13(6-9)27(25,26)22(7-14(23)24)12-5-8(15(19,20)21)1-3-10(12)17/h1-6H,7H2,(H,23,24)
InChIKeyOCBWRDYIEVIVIP-UHFFFAOYSA-N
XLogP4.95
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.66
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-N-(4-chlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetamide
CID 50893695
5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid
CID 50894659
2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
CID 50895755
2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride
CID 50892681
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-(2,6-difluorophenyl)acetamide
CID 2207937
ethyl 2-[N-(2,5-dichlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate
CID 50893125
methyl 2-[2-chloro-N-ethylsulfonyl-5-(trifluoromethyl)anilino]acetate
CID 50893328
2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]-N-benzyl-N-methylacetamide
CID 1311493
3-(2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-nitroanilino)propanoic acid
CID 50894227
4-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)butanoic acid
CID 50892700
methyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate
CID 50892663
2-(2,3-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride
CID 50892228

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid?
The IUPAC name of 2-[2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid (CID 50893609) is 2-[2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid?
The canonical SMILES for 2-[2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid is O=C(O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid?
The InChIKey is OCBWRDYIEVIVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3F3NO4S/c16-9-2-4-11(18)13(6-9)27(25,26)22(7-14(23)24)12-5-8(15(19,20)21)1-3-10(12)17/h1-6H,7H2,(H,23,24).
What are the key properties of 2-[2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid?
2-[2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid has a molecular weight of 462.66 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-(trifluoromethyl)anilino]acetic acid is sourced from PubChem (CID 50893609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).