N-[3-(benzimidazol-1-yl)propyl]-2,4-difluorobenzenesulfonamide

C16H15F2N3O2S — CID 51200722

IUPACN-[3-(benzimidazol-1-yl)propyl]-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NCCCn1cnc2ccccc21)c1ccc(F)cc1F
InChIInChI=1S/C16H15F2N3O2S/c17-12-6-7-16(13(18)10-12)24(22,23)20-8-3-9-21-11-19-14-4-1-2-5-15(14)21/h1-2,4-7,10-11,20H,3,8-9H2
InChIKeyKHSUTINLGDHOAJ-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.68
Rot. Bonds6

About N-[3-(benzimidazol-1-yl)propyl]-2,4-difluorobenzenesulfonamide

N-[3-(benzimidazol-1-yl)propyl]-2,4-difluorobenzenesulfonamide (PubChem CID 51200722) has the molecular formula C16H15F2N3O2S and a molecular weight of 351.38 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-2,4-difluorobenzenesulfonamide
PubChem CID51200722
Molecular FormulaC16H15F2N3O2S
Molecular Weight351.38 g/mol
Exact Mass351.09
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NCCCn1cnc2ccccc21)c1ccc(F)cc1F
InChIInChI=1S/C16H15F2N3O2S/c17-12-6-7-16(13(18)10-12)24(22,23)20-8-3-9-21-11-19-14-4-1-2-5-15(14)21/h1-2,4-7,10-11,20H,3,8-9H2
InChIKeyKHSUTINLGDHOAJ-UHFFFAOYSA-N
XLogP2.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole
CID 17422149
3-[3-(benzimidazol-1-yl)propyl]-1-[(2,4-difluorophenyl)methyl]-1-methylurea
CID 134001610
2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43602835
N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
CID 86912487
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-2,4-difluorobenzenesulfonamide
CID 21092238
N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 55407936
N-[3-(benzimidazol-1-yl)propyl]-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17419797
1-[3-(benzimidazol-1-yl)propyl]-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine
CID 111901913
N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide
CID 47013259
N-[2-[2-(benzimidazol-1-yl)ethylsulfamoyl]-4-methylphenyl]acetamide
CID 53063425
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-fluorobenzenesulfonamide
CID 42962607
2-(benzimidazol-1-yl)ethanesulfonyl fluoride
CID 4107358

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-2,4-difluorobenzenesulfonamide (CID 51200722) is N-[3-(benzimidazol-1-yl)propyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-2,4-difluorobenzenesulfonamide is O=S(=O)(NCCCn1cnc2ccccc21)c1ccc(F)cc1F.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is KHSUTINLGDHOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2S/c17-12-6-7-16(13(18)10-12)24(22,23)20-8-3-9-21-11-19-14-4-1-2-5-15(14)21/h1-2,4-7,10-11,20H,3,8-9H2.
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-2,4-difluorobenzenesulfonamide?
N-[3-(benzimidazol-1-yl)propyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 351.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 51200722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).