N-[4-[(4-fluoroanilino)sulfamoyl]phenyl]acetamide

C14H14FN3O3S — CID 8005342

IUPACN-[4-[(4-fluoroanilino)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(F)cc2)cc1
InChIInChI=1S/C14H14FN3O3S/c1-10(19)16-12-6-8-14(9-7-12)22(20,21)18-17-13-4-2-11(15)3-5-13/h2-9,17-18H,1H3,(H,16,19)
InChIKeyHZXFIBLTQZFSDF-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.09
Rot. Bonds5

About N-[4-[(4-fluoroanilino)sulfamoyl]phenyl]acetamide

N-[4-[(4-fluoroanilino)sulfamoyl]phenyl]acetamide (PubChem CID 8005342) has the molecular formula C14H14FN3O3S and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[4-[(4-fluoroanilino)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-fluoroanilino)sulfamoyl]phenyl]acetamide
PubChem CID8005342
Molecular FormulaC14H14FN3O3S
Molecular Weight323.35 g/mol
Exact Mass323.07
IUPAC NameN-[4-[(4-fluoroanilino)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(F)cc2)cc1
InChIInChI=1S/C14H14FN3O3S/c1-10(19)16-12-6-8-14(9-7-12)22(20,21)18-17-13-4-2-11(15)3-5-13/h2-9,17-18H,1H3,(H,16,19)
InChIKeyHZXFIBLTQZFSDF-UHFFFAOYSA-N
XLogP2.09
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N4-Acetylsulfanilamide
CID 8482
Slc-0111
CID 310360
Monoacetyldapsone
CID 11257
N-Acetylsulfanilyl chloride
CID 8481
Benzenesulfonyl fluoride, 4-(acetylamino)-
CID 67608
2,2,2-trifluoro-N-(4-sulfamoylphenyl)acetamide
CID 235259
N-[4-(hydroxysulfamoyl)phenyl]acetamide
CID 283995
N-(4-sulfamoylphenyl)propanamide
CID 847760
2,2-dimethyl-N-(4-sulfamoylphenyl)propanamide
CID 2725651
N4-Acetylsulfaguanidine
CID 87925
Acetamide, N-[4-[(dimethylamino)sulfonyl]phenyl]-
CID 97278
Propanamide, N-[4-(aminosulfonyl)phenyl]-2-methyl-
CID 3253857

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluoroanilino)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(4-fluoroanilino)sulfamoyl]phenyl]acetamide (CID 8005342) is N-[4-[(4-fluoroanilino)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-fluoroanilino)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-fluoroanilino)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[(4-fluoroanilino)sulfamoyl]phenyl]acetamide?
The InChIKey is HZXFIBLTQZFSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3S/c1-10(19)16-12-6-8-14(9-7-12)22(20,21)18-17-13-4-2-11(15)3-5-13/h2-9,17-18H,1H3,(H,16,19).
What are the key properties of N-[4-[(4-fluoroanilino)sulfamoyl]phenyl]acetamide?
N-[4-[(4-fluoroanilino)sulfamoyl]phenyl]acetamide has a molecular weight of 323.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluoroanilino)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 8005342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).