2-(3-fluorophenyl)-N-(3-hydroxy-4,5-dimethylphenyl)ethanesulfonamide

C16H18FNO3S — CID 139019117

IUPAC2-(3-fluorophenyl)-N-(3-hydroxy-4,5-dimethylphenyl)ethanesulfonamide
SMILESCc1cc(NS(=O)(=O)CCc2cccc(F)c2)cc(O)c1C
InChIInChI=1S/C16H18FNO3S/c1-11-8-15(10-16(19)12(11)2)18-22(20,21)7-6-13-4-3-5-14(17)9-13/h3-5,8-10,18-19H,6-7H2,1-2H3
InChIKeySVMBTSJLRGJYDO-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.13
Rot. Bonds5

About 2-(3-fluorophenyl)-N-(3-hydroxy-4,5-dimethylphenyl)ethanesulfonamide

2-(3-fluorophenyl)-N-(3-hydroxy-4,5-dimethylphenyl)ethanesulfonamide (PubChem CID 139019117) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(3-hydroxy-4,5-dimethylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(3-hydroxy-4,5-dimethylphenyl)ethanesulfonamide
PubChem CID139019117
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name2-(3-fluorophenyl)-N-(3-hydroxy-4,5-dimethylphenyl)ethanesulfonamide
SMILESCc1cc(NS(=O)(=O)CCc2cccc(F)c2)cc(O)c1C
InChIInChI=1S/C16H18FNO3S/c1-11-8-15(10-16(19)12(11)2)18-22(20,21)7-6-13-4-3-5-14(17)9-13/h3-5,8-10,18-19H,6-7H2,1-2H3
InChIKeySVMBTSJLRGJYDO-UHFFFAOYSA-N
XLogP3.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)ethanesulfonyl chloride
CID 2759097
N-(4-chloro-3-hydroxyphenyl)-2-phenylethanesulfonamide
CID 80685966
N-(2-hydroxy-4-methylphenyl)-2-phenylethanesulfonamide
CID 80686702
N-(2-cyclopropyl-3-pyridinyl)-2-(3-fluorophenyl)ethanesulfonamide
CID 154780577
N-(3-amino-4-methylphenyl)-2-phenylethanesulfonamide
CID 39395711
N-[2-(3-fluorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 41365156
1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47481358
N-[2-(3-fluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 26463015
N-(3-hydroxy-4-methylphenyl)-2-methylsulfonylethanesulfonamide
CID 64794415
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 8743428
2-(3-fluorophenyl)-N-(3-hydroxy-2-methylphenyl)acetamide
CID 64793447
N-[[2-(dimethylamino)-5-(propylsulfonylamino)phenyl]methyl]-N-[(3-fluorophenyl)methyl]-2,2-dimethylpropanamide
CID 42817578

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(3-hydroxy-4,5-dimethylphenyl)ethanesulfonamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(3-hydroxy-4,5-dimethylphenyl)ethanesulfonamide (CID 139019117) is 2-(3-fluorophenyl)-N-(3-hydroxy-4,5-dimethylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(3-hydroxy-4,5-dimethylphenyl)ethanesulfonamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(3-hydroxy-4,5-dimethylphenyl)ethanesulfonamide is Cc1cc(NS(=O)(=O)CCc2cccc(F)c2)cc(O)c1C.
What is the InChIKey of 2-(3-fluorophenyl)-N-(3-hydroxy-4,5-dimethylphenyl)ethanesulfonamide?
The InChIKey is SVMBTSJLRGJYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-11-8-15(10-16(19)12(11)2)18-22(20,21)7-6-13-4-3-5-14(17)9-13/h3-5,8-10,18-19H,6-7H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-N-(3-hydroxy-4,5-dimethylphenyl)ethanesulfonamide?
2-(3-fluorophenyl)-N-(3-hydroxy-4,5-dimethylphenyl)ethanesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(3-hydroxy-4,5-dimethylphenyl)ethanesulfonamide is sourced from PubChem (CID 139019117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).