2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid

C14H11ClFNO4S — CID 50890513

IUPAC2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid
SMILESO=C(O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClFNO4S/c15-10-4-6-13(7-5-10)22(20,21)17(9-14(18)19)12-3-1-2-11(16)8-12/h1-8H,9H2,(H,18,19)
InChIKeyPZJKQCIXCQAWAB-UHFFFAOYSA-N
MW343.76 g/mol
LogP2.76
Rot. Bonds5

About 2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid

2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid (PubChem CID 50890513) has the molecular formula C14H11ClFNO4S and a molecular weight of 343.76 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid
PubChem CID50890513
Molecular FormulaC14H11ClFNO4S
Molecular Weight343.76 g/mol
Exact Mass343.01
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid
SMILESO=C(O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClFNO4S/c15-10-4-6-13(7-5-10)22(20,21)17(9-14(18)19)12-3-1-2-11(16)8-12/h1-8H,9H2,(H,18,19)
InChIKeyPZJKQCIXCQAWAB-UHFFFAOYSA-N
XLogP2.76
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetic acid
CID 50892863
N-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)benzenesulfonamide
CID 46152488
2-(3-chloro-N-(4-methylsulfanylphenyl)sulfonylanilino)acetic acid
CID 100515862
2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride
CID 50890453
2-[N-(benzenesulfonyl)-3-fluoroanilino]-N-[(2-fluorophenyl)methyl]acetamide
CID 31254367
2-(3,4-difluoro-N-(4-nitrophenyl)sulfonylanilino)acetic acid
CID 100528892
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(2,6-difluorophenyl)acetamide
CID 3284151
N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021763
2-(N-(4-bromophenyl)sulfonyl-2,4-dichloroanilino)acetic acid
CID 50892250
N-[(4-chlorophenyl)methyl]-3-fluoro-N-phenylbenzenesulfonamide
CID 42841931
ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50890111
N-(3-chloro-4-fluorophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126034449

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid (CID 50890513) is 2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid is O=C(O)CN(c1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid?
The InChIKey is PZJKQCIXCQAWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO4S/c15-10-4-6-13(7-5-10)22(20,21)17(9-14(18)19)12-3-1-2-11(16)8-12/h1-8H,9H2,(H,18,19).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid?
2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid has a molecular weight of 343.76 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid is sourced from PubChem (CID 50890513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).