N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoro-N,4-dimethylbenzenesulfonamide

C18H18FNO3S — CID 46452657

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-3-fluoro-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C(C)c2cc3ccccc3o2)cc1F
InChIInChI=1S/C18H18FNO3S/c1-12-8-9-15(11-16(12)19)24(21,22)20(3)13(2)18-10-14-6-4-5-7-17(14)23-18/h4-11,13H,1-3H3
InChIKeyOHKGNHXLMRAZLL-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.26
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoro-N,4-dimethylbenzenesulfonamide

N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoro-N,4-dimethylbenzenesulfonamide (PubChem CID 46452657) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoro-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-3-fluoro-N,4-dimethylbenzenesulfonamide
PubChem CID46452657
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-3-fluoro-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C(C)c2cc3ccccc3o2)cc1F
InChIInChI=1S/C18H18FNO3S/c1-12-8-9-15(11-16(12)19)24(21,22)20(3)13(2)18-10-14-6-4-5-7-17(14)23-18/h4-11,13H,1-3H3
InChIKeyOHKGNHXLMRAZLL-UHFFFAOYSA-N
XLogP4.26
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 42947496
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2-nitrobenzenesulfonamide
CID 25488118
methyl 3-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]benzoate
CID 134002955
3-fluoro-N,4-dimethyl-N-[1-(3-nitrophenyl)ethyl]benzenesulfonamide
CID 55689394
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methylazepane-1-sulfonamide
CID 51933578
N-[1-(1-benzofuran-2-yl)ethyl-methylsulfamoyl]-N-butylbutan-1-amine
CID 55905246
4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 103697221
N-[2-(benzenesulfonyl)ethyl]-1-(1-benzofuran-2-yl)-N-methylethanamine
CID 134001049
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-fluorophenyl)ethyl]-1-methylurea
CID 51934942
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide
CID 39976580
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-methyl-N-phenylbenzenesulfonamide
CID 93147758
N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethyl-3-nitrobenzamide
CID 46550836

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoro-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoro-N,4-dimethylbenzenesulfonamide (CID 46452657) is N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoro-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoro-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoro-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C(C)c2cc3ccccc3o2)cc1F.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoro-N,4-dimethylbenzenesulfonamide?
The InChIKey is OHKGNHXLMRAZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S/c1-12-8-9-15(11-16(12)19)24(21,22)20(3)13(2)18-10-14-6-4-5-7-17(14)23-18/h4-11,13H,1-3H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoro-N,4-dimethylbenzenesulfonamide?
N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoro-N,4-dimethylbenzenesulfonamide has a molecular weight of 347.41 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoro-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 46452657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).