N-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide

C18H21F2NO2S — CID 22772322

IUPACN-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1F)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H21F2NO2S/c1-12(13-5-7-14(8-6-13)18(2,3)4)21-24(22,23)17-10-9-15(19)11-16(17)20/h5-12,21H,1-4H3
InChIKeyRIPAPGNRCZBWFM-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.30
Rot. Bonds4

About N-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide

N-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide (PubChem CID 22772322) has the molecular formula C18H21F2NO2S and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide
PubChem CID22772322
Molecular FormulaC18H21F2NO2S
Molecular Weight353.43 g/mol
Exact Mass353.13
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1F)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H21F2NO2S/c1-12(13-5-7-14(8-6-13)18(2,3)4)21-24(22,23)17-10-9-15(19)11-16(17)20/h5-12,21H,1-4H3
InChIKeyRIPAPGNRCZBWFM-UHFFFAOYSA-N
XLogP4.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 3816054
2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 18097044
N-[1-(3-aminophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 43297963
4-tert-butyl-N-[(1S)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 40744824
2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107868985
2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 61126468
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
N-[1-(4-tert-butylphenyl)ethyl]-4-ethylbenzenesulfonamide
CID 22772310
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107869105
2-amino-N-[1-(4-chlorophenyl)ethyl]-5-fluorobenzenesulfonamide
CID 61106700
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluorobenzenesulfonamide
CID 3463854
N-[1-(4-tert-butylphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22772320

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide (CID 22772322) is N-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)cc1F)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is RIPAPGNRCZBWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2NO2S/c1-12(13-5-7-14(8-6-13)18(2,3)4)21-24(22,23)17-10-9-15(19)11-16(17)20/h5-12,21H,1-4H3.
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide?
N-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 353.43 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 22772322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).