N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide

C15H16FNO3S — CID 110787683

IUPACN-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16FNO3S/c1-20-15-8-7-13(16)11-12(15)9-10-17-21(18,19)14-5-3-2-4-6-14/h2-8,11,17H,9-10H2,1H3
InChIKeyRIOXRRBLVWBNAM-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.36
Rot. Bonds6

About N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide

N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 110787683) has the molecular formula C15H16FNO3S and a molecular weight of 309.36 g/mol. Its IUPAC name is N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID110787683
Molecular FormulaC15H16FNO3S
Molecular Weight309.36 g/mol
Exact Mass309.08
IUPAC NameN-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16FNO3S/c1-20-15-8-7-13(16)11-12(15)9-10-17-21(18,19)14-5-3-2-4-6-14/h2-8,11,17H,9-10H2,1H3
InChIKeyRIOXRRBLVWBNAM-UHFFFAOYSA-N
XLogP2.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 31115017
3-(benzenesulfonamido)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 86926608
5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 57430151
N-[2-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 26539867
N-[2-(3,4-dimethoxy-2-prop-2-enylphenyl)ethyl]benzenesulfonamide
CID 71497480
N-[2-(2-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51178792
N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110789779
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-5-methylsulfonylbenzenesulfonamide
CID 55907776
3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide
CID 110409185
N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509
N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide
CID 28567796

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide (CID 110787683) is N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide is COc1ccc(F)cc1CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is RIOXRRBLVWBNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3S/c1-20-15-8-7-13(16)11-12(15)9-10-17-21(18,19)14-5-3-2-4-6-14/h2-8,11,17H,9-10H2,1H3.
What are the key properties of N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide?
N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 309.36 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110787683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).