3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide

C21H28FN3O5S2 — CID 17192252

IUPAC3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide
SMILESCCCCCCNS(=O)(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H28FN3O5S2/c1-2-3-4-5-15-23-31(27,28)20-12-8-18(9-13-20)25-21(26)14-16-24-32(29,30)19-10-6-17(22)7-11-19/h6-13,23-24H,2-5,14-16H2,1H3,(H,25,26)
InChIKeySCLJCFWZCJEJQD-UHFFFAOYSA-N
MW485.60 g/mol
LogP2.99
Rot. Bonds13

About 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide

3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide (PubChem CID 17192252) has the molecular formula C21H28FN3O5S2 and a molecular weight of 485.60 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide
PubChem CID17192252
Molecular FormulaC21H28FN3O5S2
Molecular Weight485.60 g/mol
Exact Mass485.15
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide
SMILESCCCCCCNS(=O)(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H28FN3O5S2/c1-2-3-4-5-15-23-31(27,28)20-12-8-18(9-13-20)25-21(26)14-16-24-32(29,30)19-10-6-17(22)7-11-19/h6-13,23-24H,2-5,14-16H2,1H3,(H,25,26)
InChIKeySCLJCFWZCJEJQD-UHFFFAOYSA-N
XLogP2.99
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.60
LogP ≤ 52.99
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

3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 24635402
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(methanesulfonamido)phenyl]propanamide
CID 25373946
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 17192102
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 9441750
N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 9410697
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 24640292
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)butanamide
CID 9411896
2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 4143935
N-[4-(cyanomethyl)phenyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 35707657
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide (CID 17192252) is 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide is CCCCCCNS(=O)(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide?
The InChIKey is SCLJCFWZCJEJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O5S2/c1-2-3-4-5-15-23-31(27,28)20-12-8-18(9-13-20)25-21(26)14-16-24-32(29,30)19-10-6-17(22)7-11-19/h6-13,23-24H,2-5,14-16H2,1H3,(H,25,26).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide?
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide has a molecular weight of 485.60 g/mol, XLogP of 2.99, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 17192252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).