N-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide

C15H14FN3O2S — CID 110759965

IUPACN-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(NCCc1ccc(F)cc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H14FN3O2S/c16-12-3-1-11(2-4-12)7-8-19-22(20,21)13-5-6-14-15(9-13)18-10-17-14/h1-6,9-10,19H,7-8H2,(H,17,18)
InChIKeyVUFRTDZMEIWGTK-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.22
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide

N-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide (PubChem CID 110759965) has the molecular formula C15H14FN3O2S and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide
PubChem CID110759965
Molecular FormulaC15H14FN3O2S
Molecular Weight319.36 g/mol
Exact Mass319.08
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(NCCc1ccc(F)cc1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H14FN3O2S/c16-12-3-1-11(2-4-12)7-8-19-22(20,21)13-5-6-14-15(9-13)18-10-17-14/h1-6,9-10,19H,7-8H2,(H,17,18)
InChIKeyVUFRTDZMEIWGTK-UHFFFAOYSA-N
XLogP2.22
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3H-benzimidazol-5-yl)ethyl]benzenesulfonamide
CID 110791407
N-[2-(3H-benzimidazol-5-yl)ethyl]-4-ethylbenzenesulfonamide
CID 110791415
N-[2-(2-methoxyphenyl)ethyl]-3H-benzimidazole-5-sulfonamide
CID 110759966
N-[3-(dimethylamino)propyl]-3H-benzimidazole-5-sulfonamide
CID 110759938
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1320970
N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 3716160
N-[2-(4-fluorophenyl)ethyl]-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384490
2-(3H-benzimidazol-5-yl)-N-(4-fluorophenyl)acetamide
CID 110772459
4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzenesulfonamide
CID 110791236
6-amino-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridine-3-sulfonamide
CID 64606219
3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 37478572
4-fluoro-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzenesulfonamide
CID 110791675

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide (CID 110759965) is N-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide is O=S(=O)(NCCc1ccc(F)cc1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide?
The InChIKey is VUFRTDZMEIWGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2S/c16-12-3-1-11(2-4-12)7-8-19-22(20,21)13-5-6-14-15(9-13)18-10-17-14/h1-6,9-10,19H,7-8H2,(H,17,18).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide?
N-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide has a molecular weight of 319.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 110759965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).