4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide

C17H20FN3O5S2 — CID 24635402

IUPAC4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FN3O5S2/c1-19-27(23,24)15-10-6-14(7-11-15)21-17(22)3-2-12-20-28(25,26)16-8-4-13(18)5-9-16/h4-11,19-20H,2-3,12H2,1H3,(H,21,22)
InChIKeyGJVYIYVXKHIFKA-UHFFFAOYSA-N
MW429.50 g/mol
LogP1.43
Rot. Bonds9

About 4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide

4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide (PubChem CID 24635402) has the molecular formula C17H20FN3O5S2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide
PubChem CID24635402
Molecular FormulaC17H20FN3O5S2
Molecular Weight429.50 g/mol
Exact Mass429.08
IUPAC Name4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FN3O5S2/c1-19-27(23,24)15-10-6-14(7-11-15)21-17(22)3-2-12-20-28(25,26)16-8-4-13(18)5-9-16/h4-11,19-20H,2-3,12H2,1H3,(H,21,22)
InChIKeyGJVYIYVXKHIFKA-UHFFFAOYSA-N
XLogP1.43
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)butanamide
CID 9411896
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 24640292
N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 9410697
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide
CID 17192252
N-[4-(cyanomethyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 9260809
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide
CID 25373946
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide
CID 135347429
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 9441750
4-[(4-fluorophenyl)sulfonylamino]-N-[3-(sulfamoylamino)phenyl]butanamide
CID 55558986

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide (CID 24635402) is 4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide is CNS(=O)(=O)c1ccc(NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide?
The InChIKey is GJVYIYVXKHIFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O5S2/c1-19-27(23,24)15-10-6-14(7-11-15)21-17(22)3-2-12-20-28(25,26)16-8-4-13(18)5-9-16/h4-11,19-20H,2-3,12H2,1H3,(H,21,22).
What are the key properties of 4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide?
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide has a molecular weight of 429.50 g/mol, XLogP of 1.43, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 24635402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).