N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide

C19H24FNO3S — CID 38255503

IUPACN-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCOc1ccc([C@H](C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1F
InChIInChI=1S/C19H24FNO3S/c1-11-9-12(2)14(4)19(13(11)3)25(22,23)21-15(5)16-7-8-18(24-6)17(20)10-16/h7-10,15,21H,1-6H3/t15-/m0/s1
InChIKeySUBOCHJOFUWJTC-HNNXBMFYSA-N
MW365.47 g/mol
LogP4.11
Rot. Bonds5

About N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide

N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 38255503) has the molecular formula C19H24FNO3S and a molecular weight of 365.47 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID38255503
Molecular FormulaC19H24FNO3S
Molecular Weight365.47 g/mol
Exact Mass365.15
IUPAC NameN-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCOc1ccc([C@H](C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1F
InChIInChI=1S/C19H24FNO3S/c1-11-9-12(2)14(4)19(13(11)3)25(22,23)21-15(5)16-7-8-18(24-6)17(20)10-16/h7-10,15,21H,1-6H3/t15-/m0/s1
InChIKeySUBOCHJOFUWJTC-HNNXBMFYSA-N
XLogP4.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide
CID 47013228
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 18097055
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide
CID 47371507
2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 18097044
4-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzene-1,4-disulfonamide
CID 46633618
3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 26012217
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206
2-bromo-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 46567252
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(methanesulfonamido)benzenesulfonamide
CID 47084855
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzenesulfonamide
CID 18097036
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-3-nitrobenzenesulfonamide
CID 35314287
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 18097068

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide (CID 38255503) is N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide is COc1ccc([C@H](C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1F.
What is the InChIKey of N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is SUBOCHJOFUWJTC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24FNO3S/c1-11-9-12(2)14(4)19(13(11)3)25(22,23)21-15(5)16-7-8-18(24-6)17(20)10-16/h7-10,15,21H,1-6H3/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide?
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 365.47 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 38255503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).