3-(benzenesulfonamido)-N-[3-(4-fluorophenyl)sulfanylpropyl]benzamide

C22H21FN2O3S2 — CID 27802378

IUPAC3-(benzenesulfonamido)-N-[3-(4-fluorophenyl)sulfanylpropyl]benzamide
SMILESO=C(NCCCSc1ccc(F)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H21FN2O3S2/c23-18-10-12-20(13-11-18)29-15-5-14-24-22(26)17-6-4-7-19(16-17)25-30(27,28)21-8-2-1-3-9-21/h1-4,6-13,16,25H,5,14-15H2,(H,24,26)
InChIKeyRHBUAWUZEUUCBB-UHFFFAOYSA-N
MW444.55 g/mol
LogP4.54
Rot. Bonds9

About 3-(benzenesulfonamido)-N-[3-(4-fluorophenyl)sulfanylpropyl]benzamide

3-(benzenesulfonamido)-N-[3-(4-fluorophenyl)sulfanylpropyl]benzamide (PubChem CID 27802378) has the molecular formula C22H21FN2O3S2 and a molecular weight of 444.55 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[3-(4-fluorophenyl)sulfanylpropyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[3-(4-fluorophenyl)sulfanylpropyl]benzamide
PubChem CID27802378
Molecular FormulaC22H21FN2O3S2
Molecular Weight444.55 g/mol
Exact Mass444.10
IUPAC Name3-(benzenesulfonamido)-N-[3-(4-fluorophenyl)sulfanylpropyl]benzamide
SMILESO=C(NCCCSc1ccc(F)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H21FN2O3S2/c23-18-10-12-20(13-11-18)29-15-5-14-24-22(26)17-6-4-7-19(16-17)25-30(27,28)21-8-2-1-3-9-21/h1-4,6-13,16,25H,5,14-15H2,(H,24,26)
InChIKeyRHBUAWUZEUUCBB-UHFFFAOYSA-N
XLogP4.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 54.54
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)sulfamoyl]-N-(2-phenylsulfanylethyl)benzamide
CID 26444549
3-(benzenesulfonamido)-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55408119
3-[(3-fluorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 109063851
3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 9409977
3-[(4-fluorophenyl)sulfamoyl]-N-pentylbenzamide
CID 7964289
3-benzamido-N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methylbenzamide
CID 46410167
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2-phenylsulfanylethyl)benzamide
CID 24549461
4-[(3-nitrophenyl)sulfonylamino]-N-(3-phenylsulfanylpropyl)benzamide
CID 27828970
N-(3-phenylsulfanylpropyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 38570641
4-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-dicarboxamide
CID 30860863
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593247
N-(2-methoxyethyl)-3-(phenylsulfamoyl)benzamide
CID 19257386

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[3-(4-fluorophenyl)sulfanylpropyl]benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[3-(4-fluorophenyl)sulfanylpropyl]benzamide (CID 27802378) is 3-(benzenesulfonamido)-N-[3-(4-fluorophenyl)sulfanylpropyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[3-(4-fluorophenyl)sulfanylpropyl]benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[3-(4-fluorophenyl)sulfanylpropyl]benzamide is O=C(NCCCSc1ccc(F)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[3-(4-fluorophenyl)sulfanylpropyl]benzamide?
The InChIKey is RHBUAWUZEUUCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3S2/c23-18-10-12-20(13-11-18)29-15-5-14-24-22(26)17-6-4-7-19(16-17)25-30(27,28)21-8-2-1-3-9-21/h1-4,6-13,16,25H,5,14-15H2,(H,24,26).
What are the key properties of 3-(benzenesulfonamido)-N-[3-(4-fluorophenyl)sulfanylpropyl]benzamide?
3-(benzenesulfonamido)-N-[3-(4-fluorophenyl)sulfanylpropyl]benzamide has a molecular weight of 444.55 g/mol, XLogP of 4.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[3-(4-fluorophenyl)sulfanylpropyl]benzamide is sourced from PubChem (CID 27802378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).