N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3,5-difluorobenzenesulfonamide

C21H16F3N3O2S — CID 55736806

IUPACN-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NC(Cn1cnc2ccccc21)c1ccc(F)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C21H16F3N3O2S/c22-15-7-5-14(6-8-15)20(12-27-13-25-19-3-1-2-4-21(19)27)26-30(28,29)18-10-16(23)9-17(24)11-18/h1-11,13,20,26H,12H2
InChIKeyPVJIBSZHQFSQAO-UHFFFAOYSA-N
MW431.44 g/mol
LogP4.17
Rot. Bonds6

About N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3,5-difluorobenzenesulfonamide

N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3,5-difluorobenzenesulfonamide (PubChem CID 55736806) has the molecular formula C21H16F3N3O2S and a molecular weight of 431.44 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3,5-difluorobenzenesulfonamide
PubChem CID55736806
Molecular FormulaC21H16F3N3O2S
Molecular Weight431.44 g/mol
Exact Mass431.09
IUPAC NameN-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NC(Cn1cnc2ccccc21)c1ccc(F)cc1)c1cc(F)cc(F)c1
InChIInChI=1S/C21H16F3N3O2S/c22-15-7-5-14(6-8-15)20(12-27-13-25-19-3-1-2-4-21(19)27)26-30(28,29)18-10-16(23)9-17(24)11-18/h1-11,13,20,26H,12H2
InChIKeyPVJIBSZHQFSQAO-UHFFFAOYSA-N
XLogP4.17
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-fluorobenzenesulfonamide
CID 42962607
2-amino-N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]acetamide
CID 124701161
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55795647
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 55795679
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methoxyacetamide
CID 71941395
N-[(1S)-2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]azetidine-1-carboxamide
CID 94103478
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119851641
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55795787
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 55795820
N-[2-[[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 86933208
1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 55806426
1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 78889623

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3,5-difluorobenzenesulfonamide (CID 55736806) is N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3,5-difluorobenzenesulfonamide is O=S(=O)(NC(Cn1cnc2ccccc21)c1ccc(F)cc1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3,5-difluorobenzenesulfonamide?
The InChIKey is PVJIBSZHQFSQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2S/c22-15-7-5-14(6-8-15)20(12-27-13-25-19-3-1-2-4-21(19)27)26-30(28,29)18-10-16(23)9-17(24)11-18/h1-11,13,20,26H,12H2.
What are the key properties of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3,5-difluorobenzenesulfonamide?
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3,5-difluorobenzenesulfonamide has a molecular weight of 431.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 55736806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).