5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide

C21H20FNO5S2 — CID 57430151

IUPAC5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NCCc1cccc(F)c1
InChIInChI=1S/C21H20FNO5S2/c1-28-20-11-10-19(29(24,25)18-8-3-2-4-9-18)15-21(20)30(26,27)23-13-12-16-6-5-7-17(22)14-16/h2-11,14-15,23H,12-13H2,1H3
InChIKeyMSOBGBIMPJBERS-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.19
Rot. Bonds8

About 5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide

5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 57430151) has the molecular formula C21H20FNO5S2 and a molecular weight of 449.53 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
PubChem CID57430151
Molecular FormulaC21H20FNO5S2
Molecular Weight449.53 g/mol
Exact Mass449.08
IUPAC Name5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NCCc1cccc(F)c1
InChIInChI=1S/C21H20FNO5S2/c1-28-20-11-10-19(29(24,25)18-8-3-2-4-9-18)15-21(20)30(26,27)23-13-12-16-6-5-7-17(22)14-16/h2-11,14-15,23H,12-13H2,1H3
InChIKeyMSOBGBIMPJBERS-UHFFFAOYSA-N
XLogP3.19
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzenesulfonyl)-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 25180257
5-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 25179868
N-[2-(3-fluorophenyl)ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 11979226
5-(4-chlorophenyl)sulfonyl-N-[2-(3-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 57430126
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-5-(4-fluorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 11978994
N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide
CID 110787683
5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 25180258
N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-fluorobenzenesulfonamide
CID 6737244
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509
2,3-dichloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1314394

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide (CID 57430151) is 5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NCCc1cccc(F)c1.
What is the InChIKey of 5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is MSOBGBIMPJBERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO5S2/c1-28-20-11-10-19(29(24,25)18-8-3-2-4-9-18)15-21(20)30(26,27)23-13-12-16-6-5-7-17(22)14-16/h2-11,14-15,23H,12-13H2,1H3.
What are the key properties of 5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide?
5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 449.53 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-N-[2-(3-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 57430151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).