4-fluoro-3-methyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide

C17H17FN2O3S2 — CID 110415497

IUPAC4-fluoro-3-methyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2nc(-c3cccs3)oc2C)ccc1F
InChIInChI=1S/C17H17FN2O3S2/c1-11-10-13(5-6-14(11)18)25(21,22)19-8-7-15-12(2)23-17(20-15)16-4-3-9-24-16/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyBZPPRXCCTHUZCK-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.68
Rot. Bonds6

About 4-fluoro-3-methyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide

4-fluoro-3-methyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 110415497) has the molecular formula C17H17FN2O3S2 and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
PubChem CID110415497
Molecular FormulaC17H17FN2O3S2
Molecular Weight380.47 g/mol
Exact Mass380.07
IUPAC Name4-fluoro-3-methyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2nc(-c3cccs3)oc2C)ccc1F
InChIInChI=1S/C17H17FN2O3S2/c1-11-10-13(5-6-14(11)18)25(21,22)19-8-7-15-12(2)23-17(20-15)16-4-3-9-24-16/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyBZPPRXCCTHUZCK-UHFFFAOYSA-N
XLogP3.68
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide
CID 110641335
4-fluoro-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320313
4-fluoro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzenesulfonamide
CID 110415379
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-4-methylbenzenesulfonamide
CID 110415378
4-methoxy-3-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110641056
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 110641114
4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321246
4-fluoro-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110641311
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397955
N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide
CID 110415417
4-methyl-N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110322501

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide (CID 110415497) is 4-fluoro-3-methyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCCc2nc(-c3cccs3)oc2C)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is BZPPRXCCTHUZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S2/c1-11-10-13(5-6-14(11)18)25(21,22)19-8-7-15-12(2)23-17(20-15)16-4-3-9-24-16/h3-6,9-10,19H,7-8H2,1-2H3.
What are the key properties of 4-fluoro-3-methyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110415497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).