N-(4-ethylsulfonylphenyl)-2-fluoro-5-methylbenzenesulfonamide

C15H16FNO4S2 — CID 60531678

IUPACN-(4-ethylsulfonylphenyl)-2-fluoro-5-methylbenzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2F)cc1
InChIInChI=1S/C15H16FNO4S2/c1-3-22(18,19)13-7-5-12(6-8-13)17-23(20,21)15-10-11(2)4-9-14(15)16/h4-10,17H,3H2,1-2H3
InChIKeyYUDBYWBXRMCHDF-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.73
Rot. Bonds5

About N-(4-ethylsulfonylphenyl)-2-fluoro-5-methylbenzenesulfonamide

N-(4-ethylsulfonylphenyl)-2-fluoro-5-methylbenzenesulfonamide (PubChem CID 60531678) has the molecular formula C15H16FNO4S2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-(4-ethylsulfonylphenyl)-2-fluoro-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethylsulfonylphenyl)-2-fluoro-5-methylbenzenesulfonamide
PubChem CID60531678
Molecular FormulaC15H16FNO4S2
Molecular Weight357.43 g/mol
Exact Mass357.05
IUPAC NameN-(4-ethylsulfonylphenyl)-2-fluoro-5-methylbenzenesulfonamide
SMILESCCS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2F)cc1
InChIInChI=1S/C15H16FNO4S2/c1-3-22(18,19)13-7-5-12(6-8-13)17-23(20,21)15-10-11(2)4-9-14(15)16/h4-10,17H,3H2,1-2H3
InChIKeyYUDBYWBXRMCHDF-UHFFFAOYSA-N
XLogP2.73
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
2-fluoro-N-(3-fluoro-4-methylsulfinylphenyl)-5-methylbenzenesulfonamide
CID 71998236
N-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide
CID 43602694
2-chloro-N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 24629196
2-fluoro-5-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 60532585
N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656726
5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077
4-bromo-2,5-difluoro-N-(4-methylphenyl)benzenesulfonamide
CID 2809184
N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 793232
N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 115663206
N-(4-ethylsulfonylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 17487398
2-fluoro-5-methyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]benzenesulfonamide
CID 75462718

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonylphenyl)-2-fluoro-5-methylbenzenesulfonamide?
The IUPAC name of N-(4-ethylsulfonylphenyl)-2-fluoro-5-methylbenzenesulfonamide (CID 60531678) is N-(4-ethylsulfonylphenyl)-2-fluoro-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-ethylsulfonylphenyl)-2-fluoro-5-methylbenzenesulfonamide?
The canonical SMILES for N-(4-ethylsulfonylphenyl)-2-fluoro-5-methylbenzenesulfonamide is CCS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2F)cc1.
What is the InChIKey of N-(4-ethylsulfonylphenyl)-2-fluoro-5-methylbenzenesulfonamide?
The InChIKey is YUDBYWBXRMCHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO4S2/c1-3-22(18,19)13-7-5-12(6-8-13)17-23(20,21)15-10-11(2)4-9-14(15)16/h4-10,17H,3H2,1-2H3.
What are the key properties of N-(4-ethylsulfonylphenyl)-2-fluoro-5-methylbenzenesulfonamide?
N-(4-ethylsulfonylphenyl)-2-fluoro-5-methylbenzenesulfonamide has a molecular weight of 357.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonylphenyl)-2-fluoro-5-methylbenzenesulfonamide is sourced from PubChem (CID 60531678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).