N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-fluorobenzenesulfonamide

C21H17F2N3O2S — CID 42962607

IUPACN-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC(Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C21H17F2N3O2S/c22-16-11-9-15(10-12-16)19(13-26-14-24-18-6-2-3-7-20(18)26)25-29(27,28)21-8-4-1-5-17(21)23/h1-12,14,19,25H,13H2
InChIKeyLUHJDSADWSBCFR-UHFFFAOYSA-N
MW413.45 g/mol
LogP4.03
Rot. Bonds6

About N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-fluorobenzenesulfonamide

N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-fluorobenzenesulfonamide (PubChem CID 42962607) has the molecular formula C21H17F2N3O2S and a molecular weight of 413.45 g/mol. Its IUPAC name is N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-fluorobenzenesulfonamide
PubChem CID42962607
Molecular FormulaC21H17F2N3O2S
Molecular Weight413.45 g/mol
Exact Mass413.10
IUPAC NameN-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NC(Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccccc1F
InChIInChI=1S/C21H17F2N3O2S/c22-16-11-9-15(10-12-16)19(13-26-14-24-18-6-2-3-7-20(18)26)25-29(27,28)21-8-4-1-5-17(21)23/h1-12,14,19,25H,13H2
InChIKeyLUHJDSADWSBCFR-UHFFFAOYSA-N
XLogP4.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3,5-difluorobenzenesulfonamide
CID 55736806
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-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]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55795647
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
N-[3-(benzimidazol-1-yl)propyl]-2,4-difluorobenzenesulfonamide
CID 51200722
1-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-3-[2-(2,2,2-trifluoroethoxy)ethyl]urea
CID 78889623
2-(benzimidazol-1-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 107130065

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-fluorobenzenesulfonamide (CID 42962607) is N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-fluorobenzenesulfonamide is O=S(=O)(NC(Cn1cnc2ccccc21)c1ccc(F)cc1)c1ccccc1F.
What is the InChIKey of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-fluorobenzenesulfonamide?
The InChIKey is LUHJDSADWSBCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O2S/c22-16-11-9-15(10-12-16)19(13-26-14-24-18-6-2-3-7-20(18)26)25-29(27,28)21-8-4-1-5-17(21)23/h1-12,14,19,25H,13H2.
What are the key properties of N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-fluorobenzenesulfonamide?
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-2-fluorobenzenesulfonamide has a molecular weight of 413.45 g/mol, XLogP of 4.03, 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]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 42962607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).