N-[4-[(2,4-difluoroanilino)sulfamoyl]phenyl]acetamide

C14H13F2N3O3S — CID 118706850

IUPACN-[4-[(2,4-difluoroanilino)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(F)cc2F)cc1
InChIInChI=1S/C14H13F2N3O3S/c1-9(20)17-11-3-5-12(6-4-11)23(21,22)19-18-14-7-2-10(15)8-13(14)16/h2-8,18-19H,1H3,(H,17,20)
InChIKeyHYIAUSOJPNKYMF-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.23
Rot. Bonds5

About N-[4-[(2,4-difluoroanilino)sulfamoyl]phenyl]acetamide

N-[4-[(2,4-difluoroanilino)sulfamoyl]phenyl]acetamide (PubChem CID 118706850) has the molecular formula C14H13F2N3O3S and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[4-[(2,4-difluoroanilino)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2,4-difluoroanilino)sulfamoyl]phenyl]acetamide
PubChem CID118706850
Molecular FormulaC14H13F2N3O3S
Molecular Weight341.34 g/mol
Exact Mass341.06
IUPAC NameN-[4-[(2,4-difluoroanilino)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(F)cc2F)cc1
InChIInChI=1S/C14H13F2N3O3S/c1-9(20)17-11-3-5-12(6-4-11)23(21,22)19-18-14-7-2-10(15)8-13(14)16/h2-8,18-19H,1H3,(H,17,20)
InChIKeyHYIAUSOJPNKYMF-UHFFFAOYSA-N
XLogP2.23
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.23
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
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
Acetamide, N-[4-[(dimethylamino)sulfonyl]phenyl]-
CID 97278
Propanamide, N-[4-(aminosulfonyl)phenyl]-2-methyl-
CID 3253857
N-(4-sulfamoylphenyl)butanamide
CID 3510137
4-{[(Pentafluorophenyl)carbamoyl]amino}benzenesulfonamide
CID 11245996
N-(2-fluoro-4-sulfamoylphenyl)acetamide
CID 23644664

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-difluoroanilino)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2,4-difluoroanilino)sulfamoyl]phenyl]acetamide (CID 118706850) is N-[4-[(2,4-difluoroanilino)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2,4-difluoroanilino)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2,4-difluoroanilino)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NNc2ccc(F)cc2F)cc1.
What is the InChIKey of N-[4-[(2,4-difluoroanilino)sulfamoyl]phenyl]acetamide?
The InChIKey is HYIAUSOJPNKYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O3S/c1-9(20)17-11-3-5-12(6-4-11)23(21,22)19-18-14-7-2-10(15)8-13(14)16/h2-8,18-19H,1H3,(H,17,20).
What are the key properties of N-[4-[(2,4-difluoroanilino)sulfamoyl]phenyl]acetamide?
N-[4-[(2,4-difluoroanilino)sulfamoyl]phenyl]acetamide has a molecular weight of 341.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-difluoroanilino)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 118706850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).