N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-3-fluorobenzamide

C17H18FN3O4S — CID 108574692

IUPACN-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-3-fluorobenzamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H18FN3O4S/c1-12(22)21-15-5-7-16(8-6-15)26(24,25)20-10-9-19-17(23)13-3-2-4-14(18)11-13/h2-8,11,20H,9-10H2,1H3,(H,19,23)(H,21,22)
InChIKeyRYKFIGKCMCDWME-UHFFFAOYSA-N
MW379.41 g/mol
LogP1.49
Rot. Bonds7

About N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-3-fluorobenzamide

N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-3-fluorobenzamide (PubChem CID 108574692) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-3-fluorobenzamide
PubChem CID108574692
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC NameN-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-3-fluorobenzamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C17H18FN3O4S/c1-12(22)21-15-5-7-16(8-6-15)26(24,25)20-10-9-19-17(23)13-3-2-4-14(18)11-13/h2-8,11,20H,9-10H2,1H3,(H,19,23)(H,21,22)
InChIKeyRYKFIGKCMCDWME-UHFFFAOYSA-N
XLogP1.49
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]pyridine-4-carboxamide
CID 108574450
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-(dimethylamino)benzamide
CID 108574896
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-4-oxopentanamide
CID 108574942
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-3-fluorobenzamide
CID 7333137
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 55865230
2,6-difluoro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17146819
3-fluoro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 2521510
3-methyl-N-[3-oxo-3-[4-(propylsulfamoyl)anilino]propyl]benzamide
CID 17191568
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
CID 108575028
3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778716
N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide
CID 108571471
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 94783605

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-3-fluorobenzamide (CID 108574692) is N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-3-fluorobenzamide is CC(=O)Nc1ccc(S(=O)(=O)NCCNC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-3-fluorobenzamide?
The InChIKey is RYKFIGKCMCDWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c1-12(22)21-15-5-7-16(8-6-15)26(24,25)20-10-9-19-17(23)13-3-2-4-14(18)11-13/h2-8,11,20H,9-10H2,1H3,(H,19,23)(H,21,22).
What are the key properties of N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-3-fluorobenzamide?
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-3-fluorobenzamide has a molecular weight of 379.41 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-3-fluorobenzamide is sourced from PubChem (CID 108574692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).