4-[(4-fluorophenyl)sulfonylamino]-N-[3-(sulfamoylamino)phenyl]butanamide

C16H19FN4O5S2 — CID 55558986

IUPAC4-[(4-fluorophenyl)sulfonylamino]-N-[3-(sulfamoylamino)phenyl]butanamide
SMILESNS(=O)(=O)Nc1cccc(NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H19FN4O5S2/c17-12-6-8-15(9-7-12)27(23,24)19-10-2-5-16(22)20-13-3-1-4-14(11-13)21-28(18,25)26/h1,3-4,6-9,11,19,21H,2,5,10H2,(H,20,22)(H2,18,25,26)
InChIKeyHUFUQGSJLRIZSC-UHFFFAOYSA-N
MW430.48 g/mol
LogP1.14
Rot. Bonds9

About 4-[(4-fluorophenyl)sulfonylamino]-N-[3-(sulfamoylamino)phenyl]butanamide

4-[(4-fluorophenyl)sulfonylamino]-N-[3-(sulfamoylamino)phenyl]butanamide (PubChem CID 55558986) has the molecular formula C16H19FN4O5S2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonylamino]-N-[3-(sulfamoylamino)phenyl]butanamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonylamino]-N-[3-(sulfamoylamino)phenyl]butanamide
PubChem CID55558986
Molecular FormulaC16H19FN4O5S2
Molecular Weight430.48 g/mol
Exact Mass430.08
IUPAC Name4-[(4-fluorophenyl)sulfonylamino]-N-[3-(sulfamoylamino)phenyl]butanamide
SMILESNS(=O)(=O)Nc1cccc(NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C16H19FN4O5S2/c17-12-6-8-15(9-7-12)27(23,24)19-10-2-5-16(22)20-13-3-1-4-14(11-13)21-28(18,25)26/h1,3-4,6-9,11,19,21H,2,5,10H2,(H,20,22)(H2,18,25,26)
InChIKeyHUFUQGSJLRIZSC-UHFFFAOYSA-N
XLogP1.14
TPSA147.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192108
4-[(4-fluorophenyl)sulfonylamino]-N-[4-(methylsulfamoyl)phenyl]butanamide
CID 24635402
4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide
CID 135347429
5-bromo-N-[3-(sulfamoylamino)phenyl]pentanamide
CID 107908922
4-[(4-fluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)butanamide
CID 9411896
3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide
CID 9412312
3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 2576569
N-[4-(diethylsulfamoyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 24640292
N-[4-(cyanomethyl)phenyl]-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 9260809
N-(4-ethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]butanamide
CID 9410697
4-[3-[(4-fluorophenyl)sulfonylamino]propanoylamino]benzamide
CID 9441750
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(hexylsulfamoyl)phenyl]propanamide
CID 17192252

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-[3-(sulfamoylamino)phenyl]butanamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-[3-(sulfamoylamino)phenyl]butanamide (CID 55558986) is 4-[(4-fluorophenyl)sulfonylamino]-N-[3-(sulfamoylamino)phenyl]butanamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonylamino]-N-[3-(sulfamoylamino)phenyl]butanamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonylamino]-N-[3-(sulfamoylamino)phenyl]butanamide is NS(=O)(=O)Nc1cccc(NC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonylamino]-N-[3-(sulfamoylamino)phenyl]butanamide?
The InChIKey is HUFUQGSJLRIZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O5S2/c17-12-6-8-15(9-7-12)27(23,24)19-10-2-5-16(22)20-13-3-1-4-14(11-13)21-28(18,25)26/h1,3-4,6-9,11,19,21H,2,5,10H2,(H,20,22)(H2,18,25,26).
What are the key properties of 4-[(4-fluorophenyl)sulfonylamino]-N-[3-(sulfamoylamino)phenyl]butanamide?
4-[(4-fluorophenyl)sulfonylamino]-N-[3-(sulfamoylamino)phenyl]butanamide has a molecular weight of 430.48 g/mol, XLogP of 1.14, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonylamino]-N-[3-(sulfamoylamino)phenyl]butanamide is sourced from PubChem (CID 55558986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).