N-(2-fluorophenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-propylbenzenesulfonamide

C20H21FN2O4S — CID 20936125

IUPACN-(2-fluorophenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-propylbenzenesulfonamide
SMILESCCCN(c1ccccc1F)S(=O)(=O)c1cc(-c2cc(C)no2)ccc1OC
InChIInChI=1S/C20H21FN2O4S/c1-4-11-23(17-8-6-5-7-16(17)21)28(24,25)20-13-15(9-10-18(20)26-3)19-12-14(2)22-27-19/h5-10,12-13H,4,11H2,1-3H3
InChIKeyWFSLTVCHYIEIAY-UHFFFAOYSA-N
MW404.46 g/mol
LogP4.40
Rot. Bonds7

About N-(2-fluorophenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-propylbenzenesulfonamide

N-(2-fluorophenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-propylbenzenesulfonamide (PubChem CID 20936125) has the molecular formula C20H21FN2O4S and a molecular weight of 404.46 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-propylbenzenesulfonamide
PubChem CID20936125
Molecular FormulaC20H21FN2O4S
Molecular Weight404.46 g/mol
Exact Mass404.12
IUPAC NameN-(2-fluorophenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-propylbenzenesulfonamide
SMILESCCCN(c1ccccc1F)S(=O)(=O)c1cc(-c2cc(C)no2)ccc1OC
InChIInChI=1S/C20H21FN2O4S/c1-4-11-23(17-8-6-5-7-16(17)21)28(24,25)20-13-15(9-10-18(20)26-3)19-12-14(2)22-27-19/h5-10,12-13H,4,11H2,1-3H3
InChIKeyWFSLTVCHYIEIAY-UHFFFAOYSA-N
XLogP4.40
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-methoxy-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936124
N,2-diethyl-N-(4-methoxyphenyl)-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936436
N-(4-fluoro-2-methylphenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20935107
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 20936139
methyl 3-(N-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylanilino)propanoate
CID 24793684
N-(4-fluorophenyl)-3-[2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)phenyl]sulfonylpropanamide
CID 53059894
ethyl 5-[3-[benzyl(ethyl)sulfamoyl]-4-methoxyphenyl]-1,2-oxazole-3-carboxylate
CID 20941084
N-(4-bromo-2-fluorophenyl)-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094791
2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)-N-(2-phenylpropyl)benzenesulfonamide
CID 53094821
N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 53094849
2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 20935095
N-[3-(azepan-1-yl)propyl]-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20936121

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-propylbenzenesulfonamide?
The IUPAC name of N-(2-fluorophenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-propylbenzenesulfonamide (CID 20936125) is N-(2-fluorophenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-propylbenzenesulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-propylbenzenesulfonamide is CCCN(c1ccccc1F)S(=O)(=O)c1cc(-c2cc(C)no2)ccc1OC.
What is the InChIKey of N-(2-fluorophenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-propylbenzenesulfonamide?
The InChIKey is WFSLTVCHYIEIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4S/c1-4-11-23(17-8-6-5-7-16(17)21)28(24,25)20-13-15(9-10-18(20)26-3)19-12-14(2)22-27-19/h5-10,12-13H,4,11H2,1-3H3.
What are the key properties of N-(2-fluorophenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-propylbenzenesulfonamide?
N-(2-fluorophenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-propylbenzenesulfonamide has a molecular weight of 404.46 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-methoxy-5-(3-methyl-1,2-oxazol-5-yl)-N-propylbenzenesulfonamide is sourced from PubChem (CID 20936125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).