N-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide

C16H18FNO2S — CID 170149320

IUPACN-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide
SMILESCCc1cc(NS(=O)(=O)Cc2ccccc2)c(F)cc1C
InChIInChI=1S/C16H18FNO2S/c1-3-14-10-16(15(17)9-12(14)2)18-21(19,20)11-13-7-5-4-6-8-13/h4-10,18H,3,11H2,1-2H3
InChIKeyYXUFTMPEOYKHJL-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.64
Rot. Bonds5

About N-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide

N-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide (PubChem CID 170149320) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide
PubChem CID170149320
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC NameN-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide
SMILESCCc1cc(NS(=O)(=O)Cc2ccccc2)c(F)cc1C
InChIInChI=1S/C16H18FNO2S/c1-3-14-10-16(15(17)9-12(14)2)18-21(19,20)11-13-7-5-4-6-8-13/h4-10,18H,3,11H2,1-2H3
InChIKeyYXUFTMPEOYKHJL-UHFFFAOYSA-N
XLogP3.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 107592640
N-(2-fluorophenyl)-1-phenylmethanesulfonamide
CID 669256
N-(5-chloro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 788792
N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide
CID 8516229
N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide
CID 110776887
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713
N-[2-(ethylaminomethyl)phenyl]-1-phenylmethanesulfonamide
CID 43606467
N-(2-bromo-4-fluorophenyl)-1-phenylmethanesulfonamide
CID 28939221
N-(3,4-difluoro-2-hydroxyphenyl)-1-phenylmethanesulfonamide
CID 69009630
N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide
CID 110777258
N-(2-benzylphenyl)-1-phenylmethanesulfonamide
CID 8514129
N-(2,3,4,5,6-pentafluorophenyl)-1-phenylmethanesulfonamide
CID 17374357

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide (CID 170149320) is N-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide is CCc1cc(NS(=O)(=O)Cc2ccccc2)c(F)cc1C.
What is the InChIKey of N-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide?
The InChIKey is YXUFTMPEOYKHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-3-14-10-16(15(17)9-12(14)2)18-21(19,20)11-13-7-5-4-6-8-13/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide?
N-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide has a molecular weight of 307.39 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-fluoro-4-methylphenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 170149320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).