2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetic acid

C14H10ClF2NO4S — CID 50892863

IUPAC2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetic acid
SMILESO=C(O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClF2NO4S/c15-9-1-4-11(5-2-9)23(21,22)18(8-14(19)20)13-6-3-10(16)7-12(13)17/h1-7H,8H2,(H,19,20)
InChIKeyPILSLGUBHIQMOO-UHFFFAOYSA-N
MW361.75 g/mol
LogP2.90
Rot. Bonds5

About 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetic acid

2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetic acid (PubChem CID 50892863) has the molecular formula C14H10ClF2NO4S and a molecular weight of 361.75 g/mol. Its IUPAC name is 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetic acid
PubChem CID50892863
Molecular FormulaC14H10ClF2NO4S
Molecular Weight361.75 g/mol
Exact Mass361.00
IUPAC Name2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetic acid
SMILESO=C(O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClF2NO4S/c15-9-1-4-11(5-2-9)23(21,22)18(8-14(19)20)13-6-3-10(16)7-12(13)17/h1-7H,8H2,(H,19,20)
InChIKeyPILSLGUBHIQMOO-UHFFFAOYSA-N
XLogP2.90
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.75
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate
CID 50892875
2-(N-(4-chlorophenyl)sulfonyl-3-fluoroanilino)acetic acid
CID 50890513
2-(N-(4-bromophenyl)sulfonyl-2,4-dichloroanilino)acetic acid
CID 50892250
2-(N-(4-chlorophenyl)sulfonyl-2-methoxyanilino)acetic acid
CID 28590028
3-(N-(4-chlorophenyl)sulfonyl-2-fluoroanilino)propanoic acid
CID 50890531
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetic acid
CID 872896
2-(4-chloro-2-methyl-N-(4-nitrophenyl)sulfonylanilino)acetic acid
CID 100527380
ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-2-methylanilino)acetate
CID 100503333
2-(2,4,5-trichloro-N-(4-fluorophenyl)sulfonylanilino)acetyl chloride
CID 50895753
2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid
CID 705727
4-[carboxymethyl-(4-fluorophenyl)sulfonylamino]benzoic acid
CID 50894343
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-difluorophenyl)acetamide
CID 53279384

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetic acid?
The IUPAC name of 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetic acid (CID 50892863) is 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetic acid.
What is the SMILES notation for 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetic acid?
The canonical SMILES for 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetic acid is O=C(O)CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetic acid?
The InChIKey is PILSLGUBHIQMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF2NO4S/c15-9-1-4-11(5-2-9)23(21,22)18(8-14(19)20)13-6-3-10(16)7-12(13)17/h1-7H,8H2,(H,19,20).
What are the key properties of 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetic acid?
2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetic acid has a molecular weight of 361.75 g/mol, XLogP of 2.90, 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-2,4-difluoroanilino)acetic acid is sourced from PubChem (CID 50892863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).