2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide

C17H15F2N3O4S — CID 55581588

IUPAC2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(F)cc2)ccc1F
InChIInChI=1S/C17H15F2N3O4S/c1-2-9-20-27(25,26)15-10-12(5-8-14(15)19)17(24)22-21-16(23)11-3-6-13(18)7-4-11/h2-8,10,20H,1,9H2,(H,21,23)(H,22,24)
InChIKeyGIOWDJZJWQSUGN-UHFFFAOYSA-N
MW395.39 g/mol
LogP1.50
Rot. Bonds6

About 2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide

2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide (PubChem CID 55581588) has the molecular formula C17H15F2N3O4S and a molecular weight of 395.39 g/mol. Its IUPAC name is 2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
PubChem CID55581588
Molecular FormulaC17H15F2N3O4S
Molecular Weight395.39 g/mol
Exact Mass395.08
IUPAC Name2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(F)cc2)ccc1F
InChIInChI=1S/C17H15F2N3O4S/c1-2-9-20-27(25,26)15-10-12(5-8-14(15)19)17(24)22-21-16(23)11-3-6-13(18)7-4-11/h2-8,10,20H,1,9H2,(H,21,23)(H,22,24)
InChIKeyGIOWDJZJWQSUGN-UHFFFAOYSA-N
XLogP1.50
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-prop-2-enyl-3-(prop-2-enylsulfamoyl)benzamide
CID 47162107
2-fluoro-5-(piperidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 134004887
4-fluoro-3-(prop-2-enylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 126479526
2-fluoro-5-[[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 55913272
N-[[2-(difluoromethoxy)phenyl]methyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide
CID 55596596
4-chloro-N-(3-chloro-4-fluorophenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 9165964
4-fluoro-N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 49422917
N-[3-(butan-2-ylamino)-3-oxopropyl]-4-fluoro-3-(prop-2-enylsulfamoyl)benzamide
CID 55992642
4-chloro-N-[4-(4-fluorophenoxy)butyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 30857214
4-fluoro-N-(2-methoxyethyl)-N-pentan-3-yl-3-(prop-2-enylsulfamoyl)benzamide
CID 55796321
4-fluoro-N-methyl-N-[(2-methylphenyl)methyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55596549
4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 55333909

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide (CID 55581588) is 2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(F)cc2)ccc1F.
What is the InChIKey of 2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide?
The InChIKey is GIOWDJZJWQSUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O4S/c1-2-9-20-27(25,26)15-10-12(5-8-14(15)19)17(24)22-21-16(23)11-3-6-13(18)7-4-11/h2-8,10,20H,1,9H2,(H,21,23)(H,22,24).
What are the key properties of 2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide?
2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide has a molecular weight of 395.39 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[(4-fluorobenzoyl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 55581588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).