4-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide

C21H19FN2O3S2 — CID 26444549

IUPAC4-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccc1)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H19FN2O3S2/c22-17-8-10-18(11-9-17)24-29(26,27)20-12-6-16(7-13-20)21(25)23-14-15-28-19-4-2-1-3-5-19/h1-13,24H,14-15H2,(H,23,25)
InChIKeyMFYNMVMKKGQYGW-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.15
Rot. Bonds8

About 4-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide

4-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 26444549) has the molecular formula C21H19FN2O3S2 and a molecular weight of 430.53 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide
PubChem CID26444549
Molecular FormulaC21H19FN2O3S2
Molecular Weight430.53 g/mol
Exact Mass430.08
IUPAC Name4-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccc1)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C21H19FN2O3S2/c22-17-8-10-18(11-9-17)24-29(26,27)20-12-6-16(7-13-20)21(25)23-14-15-28-19-4-2-1-3-5-19/h1-13,24H,14-15H2,(H,23,25)
InChIKeyMFYNMVMKKGQYGW-UHFFFAOYSA-N
XLogP4.15
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyethyl)benzamide
CID 27758316
3-[2-[[4-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]ethyldisulfanyl]propanoic acid;2,2,2-trifluoroacetic acid
CID 166422658
N-[2-(4-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 9164370
4-[(4-fluorophenyl)sulfonylamino]-N-[(2R)-2-phenylpropyl]benzamide
CID 9164346
3-(benzenesulfonamido)-N-[3-(4-fluorophenyl)sulfanylpropyl]benzamide
CID 27802378
4-(cyclopropylsulfamoyl)-N-(2-phenylsulfanylethyl)benzamide
CID 27887946
4-[(3-nitrophenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)benzamide
CID 27828970
N-(3-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17477773
N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 109060264
N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27683058
4-[(4-fluorophenyl)sulfonylamino]-N-(2-thiophen-2-ylethyl)benzamide
CID 27770451
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide (CID 26444549) is 4-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide is O=C(NCCSc1ccccc1)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is MFYNMVMKKGQYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S2/c22-17-8-10-18(11-9-17)24-29(26,27)20-12-6-16(7-13-20)21(25)23-14-15-28-19-4-2-1-3-5-19/h1-13,24H,14-15H2,(H,23,25).
What are the key properties of 4-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide?
4-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 430.53 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 26444549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).