benzenesulfonamide;N-(3-fluoro-4-sulfamoylphenyl)acetamide

C14H16FN3O5S2 — CID 70210987

IUPACbenzenesulfonamide;N-(3-fluoro-4-sulfamoylphenyl)acetamide
SMILESCC(=O)Nc1ccc(S(N)(=O)=O)c(F)c1.NS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H9FN2O3S.C6H7NO2S/c1-5(12)11-6-2-3-8(7(9)4-6)15(10,13)14;7-10(8,9)6-4-2-1-3-5-6/h2-4H,1H3,(H,11,12)(H2,10,13,14);1-5H,(H2,7,8,9)
InChIKeyGWKSDHKADOKQLI-UHFFFAOYSA-N
MW389.43 g/mol
LogP0.77
Rot. Bonds3

About benzenesulfonamide;N-(3-fluoro-4-sulfamoylphenyl)acetamide

benzenesulfonamide;N-(3-fluoro-4-sulfamoylphenyl)acetamide (PubChem CID 70210987) has the molecular formula C14H16FN3O5S2 and a molecular weight of 389.43 g/mol. Its IUPAC name is benzenesulfonamide;N-(3-fluoro-4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Namebenzenesulfonamide;N-(3-fluoro-4-sulfamoylphenyl)acetamide
PubChem CID70210987
Molecular FormulaC14H16FN3O5S2
Molecular Weight389.43 g/mol
Exact Mass389.05
IUPAC Namebenzenesulfonamide;N-(3-fluoro-4-sulfamoylphenyl)acetamide
SMILESCC(=O)Nc1ccc(S(N)(=O)=O)c(F)c1.NS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H9FN2O3S.C6H7NO2S/c1-5(12)11-6-2-3-8(7(9)4-6)15(10,13)14;7-10(8,9)6-4-2-1-3-5-6/h2-4H,1H3,(H,11,12)(H2,10,13,14);1-5H,(H2,7,8,9)
InChIKeyGWKSDHKADOKQLI-UHFFFAOYSA-N
XLogP0.77
TPSA149.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-4-sulfamoylphenyl)benzamide
CID 43246704
N-(3-fluoro-4-sulfamoylphenyl)-2-methylsulfonylpropanamide
CID 104520210
2-[(4-acetamido-2-fluorophenyl)sulfonylamino]oxyacetic acid
CID 60748669
4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 167825514
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
N-(3-fluoro-4-sulfamoylphenyl)-2-methylpyridine-4-carboxamide
CID 106753258
N-[4-(2-fluorophenyl)sulfonylphenyl]acetamide
CID 70364757
benzenesulfonamide;methanol
CID 23223292
2-[(4-acetamido-2-fluorophenyl)sulfonylamino]butanoic acid
CID 43427428
2-[(4-acetamido-2-fluorophenyl)sulfonyl-ethylamino]acetic acid
CID 61011984
N-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]sulfonyl-3-fluorophenyl]acetamide
CID 79410911

Frequently Asked Questions

What is the IUPAC name of benzenesulfonamide;N-(3-fluoro-4-sulfamoylphenyl)acetamide?
The IUPAC name of benzenesulfonamide;N-(3-fluoro-4-sulfamoylphenyl)acetamide (CID 70210987) is benzenesulfonamide;N-(3-fluoro-4-sulfamoylphenyl)acetamide.
What is the SMILES notation for benzenesulfonamide;N-(3-fluoro-4-sulfamoylphenyl)acetamide?
The canonical SMILES for benzenesulfonamide;N-(3-fluoro-4-sulfamoylphenyl)acetamide is CC(=O)Nc1ccc(S(N)(=O)=O)c(F)c1.NS(=O)(=O)c1ccccc1.
What is the InChIKey of benzenesulfonamide;N-(3-fluoro-4-sulfamoylphenyl)acetamide?
The InChIKey is GWKSDHKADOKQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O3S.C6H7NO2S/c1-5(12)11-6-2-3-8(7(9)4-6)15(10,13)14;7-10(8,9)6-4-2-1-3-5-6/h2-4H,1H3,(H,11,12)(H2,10,13,14);1-5H,(H2,7,8,9).
What are the key properties of benzenesulfonamide;N-(3-fluoro-4-sulfamoylphenyl)acetamide?
benzenesulfonamide;N-(3-fluoro-4-sulfamoylphenyl)acetamide has a molecular weight of 389.43 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonamide;N-(3-fluoro-4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 70210987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).