N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,4,5-trimethylbenzenesulfonamide

C19H24FNO3S — CID 71810670

IUPACN-[2-(2-fluorophenyl)-2-methoxypropyl]-2,4,5-trimethylbenzenesulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1cc(C)c(C)cc1C)c1ccccc1F
InChIInChI=1S/C19H24FNO3S/c1-13-10-15(3)18(11-14(13)2)25(22,23)21-12-19(4,24-5)16-8-6-7-9-17(16)20/h6-11,21H,12H2,1-5H3
InChIKeyRDJUZQQQEGJACD-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.59
Rot. Bonds6

About N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,4,5-trimethylbenzenesulfonamide

N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,4,5-trimethylbenzenesulfonamide (PubChem CID 71810670) has the molecular formula C19H24FNO3S and a molecular weight of 365.47 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,4,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-2,4,5-trimethylbenzenesulfonamide
PubChem CID71810670
Molecular FormulaC19H24FNO3S
Molecular Weight365.47 g/mol
Exact Mass365.15
IUPAC NameN-[2-(2-fluorophenyl)-2-methoxypropyl]-2,4,5-trimethylbenzenesulfonamide
SMILESCOC(C)(CNS(=O)(=O)c1cc(C)c(C)cc1C)c1ccccc1F
InChIInChI=1S/C19H24FNO3S/c1-13-10-15(3)18(11-14(13)2)25(22,23)21-12-19(4,24-5)16-8-6-7-9-17(16)20/h6-11,21H,12H2,1-5H3
InChIKeyRDJUZQQQEGJACD-UHFFFAOYSA-N
XLogP3.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5,6,7,8-tetrahydro-2-naphthylsulfonyl)[(R)-2-(o-fluorophenyl)-2-methoxypropyl]amine
CID 97428462
{[p-(trifluoromethyl)phenyl]methylsulfonyl}[(R)-2-(o-fluorophenyl)-2-methoxypropyl]amine
CID 97428480
{[p-(trifluoromethyl)phenyl]methylsulfonyl}[(R)-2-methoxy-2-phenylbutyl]amine
CID 97428660
N-(2-hydroxy-2-phenylpropyl)-2,4-dimethylbenzenesulfonamide
CID 56765377
(R)-2-phenyl-1-(3,4-xylylsulfonylamino)-2-propanol
CID 95368041
(S)-1-cyclopropyl-1-phenyl-2-(2,4,5-trimethylphenylsulfonylamino)-1-ethanol
CID 95379504
2,4,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 56764228
N-[(2S)-5-amino-1-[(4-fluorophenyl)methoxy]pentan-2-yl]-4-methylnaphthalene-1-sulfonamide
CID 91603985
3-butyl-4-methyl-N-[2-phenyl-2-(2,2,2-trifluoroethoxy)ethyl]benzenesulfonamide
CID 165177951
N-[(2S)-2-(4-tert-butylphenyl)-2-ethoxyethyl]-4-methylbenzenesulfonamide
CID 139204992
3,4-dimethyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 25945390
2,4-dimethyl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzenesulfonamide
CID 29841119

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,4,5-trimethylbenzenesulfonamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,4,5-trimethylbenzenesulfonamide (CID 71810670) is N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,4,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,4,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,4,5-trimethylbenzenesulfonamide is COC(C)(CNS(=O)(=O)c1cc(C)c(C)cc1C)c1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,4,5-trimethylbenzenesulfonamide?
The InChIKey is RDJUZQQQEGJACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO3S/c1-13-10-15(3)18(11-14(13)2)25(22,23)21-12-19(4,24-5)16-8-6-7-9-17(16)20/h6-11,21H,12H2,1-5H3.
What are the key properties of N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,4,5-trimethylbenzenesulfonamide?
N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,4,5-trimethylbenzenesulfonamide has a molecular weight of 365.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-methoxypropyl]-2,4,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 71810670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).