4-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]butanoic acid

C10H10Cl2FNO4S — CID 122067620

IUPAC4-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C10H10Cl2FNO4S/c11-7-4-6(13)5-8(12)10(7)19(17,18)14-3-1-2-9(15)16/h4-5,14H,1-3H2,(H,15,16)
InChIKeyUPOSGRZDJHEVHW-UHFFFAOYSA-N
MW330.16 g/mol
LogP2.28
Rot. Bonds6

About 4-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]butanoic acid

4-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]butanoic acid (PubChem CID 122067620) has the molecular formula C10H10Cl2FNO4S and a molecular weight of 330.16 g/mol. Its IUPAC name is 4-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]butanoic acid
PubChem CID122067620
Molecular FormulaC10H10Cl2FNO4S
Molecular Weight330.16 g/mol
Exact Mass328.97
IUPAC Name4-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]butanoic acid
SMILESO=C(O)CCCNS(=O)(=O)c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C10H10Cl2FNO4S/c11-7-4-6(13)5-8(12)10(7)19(17,18)14-3-1-2-9(15)16/h4-5,14H,1-3H2,(H,15,16)
InChIKeyUPOSGRZDJHEVHW-UHFFFAOYSA-N
XLogP2.28
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid
CID 54881721
7-[(3,5-difluorophenyl)sulfonylamino]heptanoic acid
CID 43241563
4-[(2,3,5,6-tetramethylphenyl)sulfonylamino]butanoic acid
CID 2437240
4-[3-[(2,6-dichlorophenyl)sulfonylamino]propanoylamino]butanoic acid
CID 119352507
3-[(2,6-dichlorophenyl)sulfonylamino]propanoic acid
CID 697936
4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]butanoic acid
CID 43091508
4-[(5,6-dichloro-3-pyridinyl)sulfonylamino]butanoic acid
CID 64608025
5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 62033065
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoic acid
CID 43091467
4-(2-chloro-4-fluoroanilino)butanoic acid
CID 18072403
4-[(2-chloro-5-propan-2-ylphenyl)sulfonylamino]butanoic acid
CID 120968663

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]butanoic acid?
The IUPAC name of 4-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]butanoic acid (CID 122067620) is 4-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for 4-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]butanoic acid?
The canonical SMILES for 4-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]butanoic acid is O=C(O)CCCNS(=O)(=O)c1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 4-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]butanoic acid?
The InChIKey is UPOSGRZDJHEVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2FNO4S/c11-7-4-6(13)5-8(12)10(7)19(17,18)14-3-1-2-9(15)16/h4-5,14H,1-3H2,(H,15,16).
What are the key properties of 4-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]butanoic acid?
4-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]butanoic acid has a molecular weight of 330.16 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichloro-4-fluorophenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 122067620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).