2-[3-(2,3-dichlorophenyl)-N-[4-(difluoromethoxy)phenyl]sulfonylanilino]acetic acid

C21H15Cl2F2NO5S — CID 127039880

IUPAC2-[3-(2,3-dichlorophenyl)-N-[4-(difluoromethoxy)phenyl]sulfonylanilino]acetic acid
SMILESO=C(O)CN(c1cccc(-c2cccc(Cl)c2Cl)c1)S(=O)(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H15Cl2F2NO5S/c22-18-6-2-5-17(20(18)23)13-3-1-4-14(11-13)26(12-19(27)28)32(29,30)16-9-7-15(8-10-16)31-21(24)25/h1-11,21H,12H2,(H,27,28)
InChIKeyVHRMEONQZIUMOQ-UHFFFAOYSA-N
MW502.32 g/mol
LogP5.54
Rot. Bonds8

About 2-[3-(2,3-dichlorophenyl)-N-[4-(difluoromethoxy)phenyl]sulfonylanilino]acetic acid

2-[3-(2,3-dichlorophenyl)-N-[4-(difluoromethoxy)phenyl]sulfonylanilino]acetic acid (PubChem CID 127039880) has the molecular formula C21H15Cl2F2NO5S and a molecular weight of 502.32 g/mol. Its IUPAC name is 2-[3-(2,3-dichlorophenyl)-N-[4-(difluoromethoxy)phenyl]sulfonylanilino]acetic acid.

Molecular Properties

Compound Name2-[3-(2,3-dichlorophenyl)-N-[4-(difluoromethoxy)phenyl]sulfonylanilino]acetic acid
PubChem CID127039880
Molecular FormulaC21H15Cl2F2NO5S
Molecular Weight502.32 g/mol
Exact Mass501.00
IUPAC Name2-[3-(2,3-dichlorophenyl)-N-[4-(difluoromethoxy)phenyl]sulfonylanilino]acetic acid
SMILESO=C(O)CN(c1cccc(-c2cccc(Cl)c2Cl)c1)S(=O)(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H15Cl2F2NO5S/c22-18-6-2-5-17(20(18)23)13-3-1-4-14(11-13)26(12-19(27)28)32(29,30)16-9-7-15(8-10-16)31-21(24)25/h1-11,21H,12H2,(H,27,28)
InChIKeyVHRMEONQZIUMOQ-UHFFFAOYSA-N
XLogP5.54
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.32
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(3,5-dichlorophenyl)phenyl]methyl-[4-(difluoromethoxy)phenyl]sulfonylamino]acetic acid
CID 127041501
2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid
CID 50890513
2-(3-chloro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetic acid
CID 100515862
2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid
CID 50889512
2-(N-(4-acetamidophenyl)sulfonyl-2,6-dichloroanilino)acetic acid
CID 50889394
2-[N-(benzenesulfonyl)-3-prop-2-enoxyanilino]acetic acid
CID 50894797
2-(2,3-dichloro-N-(4-nitrophenyl)sulfonylanilino)acetic acid
CID 100529092
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
CID 27014139
2-(N-(2-chlorophenyl)sulfonylanilino)acetic acid
CID 1486714
2-(N-(4-aminophenyl)sulfonylanilino)acetic acid
CID 14423402
2-[N-naphthalen-2-ylsulfonyl-3-(trifluoromethyl)anilino]acetic acid
CID 100531866
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2,3-dichlorophenyl)acetamide
CID 126271164

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dichlorophenyl)-N-[4-(difluoromethoxy)phenyl]sulfonylanilino]acetic acid?
The IUPAC name of 2-[3-(2,3-dichlorophenyl)-N-[4-(difluoromethoxy)phenyl]sulfonylanilino]acetic acid (CID 127039880) is 2-[3-(2,3-dichlorophenyl)-N-[4-(difluoromethoxy)phenyl]sulfonylanilino]acetic acid.
What is the SMILES notation for 2-[3-(2,3-dichlorophenyl)-N-[4-(difluoromethoxy)phenyl]sulfonylanilino]acetic acid?
The canonical SMILES for 2-[3-(2,3-dichlorophenyl)-N-[4-(difluoromethoxy)phenyl]sulfonylanilino]acetic acid is O=C(O)CN(c1cccc(-c2cccc(Cl)c2Cl)c1)S(=O)(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[3-(2,3-dichlorophenyl)-N-[4-(difluoromethoxy)phenyl]sulfonylanilino]acetic acid?
The InChIKey is VHRMEONQZIUMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2F2NO5S/c22-18-6-2-5-17(20(18)23)13-3-1-4-14(11-13)26(12-19(27)28)32(29,30)16-9-7-15(8-10-16)31-21(24)25/h1-11,21H,12H2,(H,27,28).
What are the key properties of 2-[3-(2,3-dichlorophenyl)-N-[4-(difluoromethoxy)phenyl]sulfonylanilino]acetic acid?
2-[3-(2,3-dichlorophenyl)-N-[4-(difluoromethoxy)phenyl]sulfonylanilino]acetic acid has a molecular weight of 502.32 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dichlorophenyl)-N-[4-(difluoromethoxy)phenyl]sulfonylanilino]acetic acid is sourced from PubChem (CID 127039880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).