1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide

C17H18FN3O2S — CID 110791557

IUPAC1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide
SMILESCc1nc2ccc(CCNS(=O)(=O)Cc3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C17H18FN3O2S/c1-12-20-16-7-4-13(10-17(16)21-12)8-9-19-24(22,23)11-14-2-5-15(18)6-3-14/h2-7,10,19H,8-9,11H2,1H3,(H,20,21)
InChIKeyQFWSQOVNNNJYBE-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.67
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide

1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide (PubChem CID 110791557) has the molecular formula C17H18FN3O2S and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide
PubChem CID110791557
Molecular FormulaC17H18FN3O2S
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide
SMILESCc1nc2ccc(CCNS(=O)(=O)Cc3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C17H18FN3O2S/c1-12-20-16-7-4-13(10-17(16)21-12)8-9-19-24(22,23)11-14-2-5-15(18)6-3-14/h2-7,10,19H,8-9,11H2,1H3,(H,20,21)
InChIKeyQFWSQOVNNNJYBE-UHFFFAOYSA-N
XLogP2.67
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791451
N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692472
1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 99817476
3-(4-fluorophenyl)-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]propanamide
CID 110785648
2,2-dimethyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]propanamide
CID 110791460
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]ethanesulfonamide
CID 110791583
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-sulfanylacetamide
CID 115167417
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 55906754
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
N-methyl-4-(2-methyl-3H-benzimidazol-5-yl)butan-1-amine
CID 96671773
ethane;6-fluoro-2-methyl-1H-benzimidazole
CID 142961640
N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791481

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide (CID 110791557) is 1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide is Cc1nc2ccc(CCNS(=O)(=O)Cc3ccc(F)cc3)cc2[nH]1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide?
The InChIKey is QFWSQOVNNNJYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S/c1-12-20-16-7-4-13(10-17(16)21-12)8-9-19-24(22,23)11-14-2-5-15(18)6-3-14/h2-7,10,19H,8-9,11H2,1H3,(H,20,21).
What are the key properties of 1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide has a molecular weight of 347.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110791557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).