4-[(4-fluorophenyl)sulfonylamino]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide

C19H24FN3O5S2 — CID 24644992

IUPAC4-[(4-fluorophenyl)sulfonylamino]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H24FN3O5S2/c1-21-29(25,26)14-16-6-4-15(5-7-16)13-22-19(24)3-2-12-23-30(27,28)18-10-8-17(20)9-11-18/h4-11,21,23H,2-3,12-14H2,1H3,(H,22,24)
InChIKeyOEJBLNXJIQDYNL-UHFFFAOYSA-N
MW457.55 g/mol
LogP1.25
Rot. Bonds11

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

4-[(4-fluorophenyl)sulfonylamino]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide (PubChem CID 24644992) has the molecular formula C19H24FN3O5S2 and a molecular weight of 457.55 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonylamino]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonylamino]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide
PubChem CID24644992
Molecular FormulaC19H24FN3O5S2
Molecular Weight457.55 g/mol
Exact Mass457.11
IUPAC Name4-[(4-fluorophenyl)sulfonylamino]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H24FN3O5S2/c1-21-29(25,26)14-16-6-4-15(5-7-16)13-22-19(24)3-2-12-23-30(27,28)18-10-8-17(20)9-11-18/h4-11,21,23H,2-3,12-14H2,1H3,(H,22,24)
InChIKeyOEJBLNXJIQDYNL-UHFFFAOYSA-N
XLogP1.25
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 51.25
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)methyl]propanamide
CID 17192146
3-(4-fluorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 38123056
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 31544702
N-[[4-(4-fluorophenoxy)phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24644960
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 24635402
4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide
CID 135347429
3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide
CID 25403468
3-[(4-fluorophenyl)sulfonylamino]-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 55708983
4-[3-(dimethylamino)propylsulfamoyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 109060291
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 55408656
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
ethyl 4-[[4-(benzylamino)-4-oxobutyl]sulfamoyl]benzoate
CID 9336603

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide (CID 24644992) is 4-[(4-fluorophenyl)sulfonylamino]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonylamino]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonylamino]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide is CNS(=O)(=O)Cc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonylamino]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide?
The InChIKey is OEJBLNXJIQDYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O5S2/c1-21-29(25,26)14-16-6-4-15(5-7-16)13-22-19(24)3-2-12-23-30(27,28)18-10-8-17(20)9-11-18/h4-11,21,23H,2-3,12-14H2,1H3,(H,22,24).
What are the key properties of 4-[(4-fluorophenyl)sulfonylamino]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide?
4-[(4-fluorophenyl)sulfonylamino]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide has a molecular weight of 457.55 g/mol, XLogP of 1.25, 11 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-(methylsulfamoylmethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 24644992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).