4-(N-(3,4-dichlorophenyl)sulfonylanilino)butanoic acid

C16H15Cl2NO4S — CID 50889582

IUPAC4-(N-(3,4-dichlorophenyl)sulfonylanilino)butanoic acid
SMILESO=C(O)CCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO4S/c17-14-9-8-13(11-15(14)18)24(22,23)19(10-4-7-16(20)21)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,20,21)
InChIKeyLJJAHRLJSKICSW-UHFFFAOYSA-N
MW388.27 g/mol
LogP4.05
Rot. Bonds7

About 4-(N-(3,4-dichlorophenyl)sulfonylanilino)butanoic acid

4-(N-(3,4-dichlorophenyl)sulfonylanilino)butanoic acid (PubChem CID 50889582) has the molecular formula C16H15Cl2NO4S and a molecular weight of 388.27 g/mol. Its IUPAC name is 4-(N-(3,4-dichlorophenyl)sulfonylanilino)butanoic acid.

Molecular Properties

Compound Name4-(N-(3,4-dichlorophenyl)sulfonylanilino)butanoic acid
PubChem CID50889582
Molecular FormulaC16H15Cl2NO4S
Molecular Weight388.27 g/mol
Exact Mass387.01
IUPAC Name4-(N-(3,4-dichlorophenyl)sulfonylanilino)butanoic acid
SMILESO=C(O)CCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl2NO4S/c17-14-9-8-13(11-15(14)18)24(22,23)19(10-4-7-16(20)21)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,20,21)
InChIKeyLJJAHRLJSKICSW-UHFFFAOYSA-N
XLogP4.05
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(N-(3-nitrophenyl)sulfonylanilino)butanoic acid
CID 50889630
4-(N-(3,4-dichlorophenyl)sulfonyl-2,5-dimethylanilino)butanoic acid
CID 50891674
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
methyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate
CID 50889553
4-[N-(benzenesulfonyl)-4-iodoanilino]butanoic acid
CID 50891009
3-(N-(3,4-dichlorophenyl)sulfonyl-2,4,6-trimethylanilino)propanoic acid
CID 50892318
4-(4-bromo-N-(4-chlorophenyl)sulfonylanilino)butanoic acid
CID 50890766
3-[N-(benzenesulfonyl)-4-chloroanilino]propanoic acid
CID 50890227
4-(4-chloro-3-methyl-N-(3-nitrophenyl)sulfonylanilino)butanoic acid
CID 50895569
4-(N-(4-chlorophenyl)sulfonyl-3-methoxyanilino)butanoic acid
CID 50891498
4-(N-methylsulfonylanilino)butanoic acid
CID 50889586
4-[N-(benzenesulfonyl)-4-ethylanilino]butanoic acid
CID 50892758

Frequently Asked Questions

What is the IUPAC name of 4-(N-(3,4-dichlorophenyl)sulfonylanilino)butanoic acid?
The IUPAC name of 4-(N-(3,4-dichlorophenyl)sulfonylanilino)butanoic acid (CID 50889582) is 4-(N-(3,4-dichlorophenyl)sulfonylanilino)butanoic acid.
What is the SMILES notation for 4-(N-(3,4-dichlorophenyl)sulfonylanilino)butanoic acid?
The canonical SMILES for 4-(N-(3,4-dichlorophenyl)sulfonylanilino)butanoic acid is O=C(O)CCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(N-(3,4-dichlorophenyl)sulfonylanilino)butanoic acid?
The InChIKey is LJJAHRLJSKICSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S/c17-14-9-8-13(11-15(14)18)24(22,23)19(10-4-7-16(20)21)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,20,21).
What are the key properties of 4-(N-(3,4-dichlorophenyl)sulfonylanilino)butanoic acid?
4-(N-(3,4-dichlorophenyl)sulfonylanilino)butanoic acid has a molecular weight of 388.27 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-(3,4-dichlorophenyl)sulfonylanilino)butanoic acid is sourced from PubChem (CID 50889582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).