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

C18H17FN2O3S — CID 110314691

IUPAC4-fluoro-3-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2cc(-c3ccccc3)on2)ccc1F
InChIInChI=1S/C18H17FN2O3S/c1-13-11-16(7-8-17(13)19)25(22,23)20-10-9-15-12-18(24-21-15)14-5-3-2-4-6-14/h2-8,11-12,20H,9-10H2,1H3
InChIKeyLUXYJHHLQCRZOS-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.31
Rot. Bonds6

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

4-fluoro-3-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 110314691) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide
PubChem CID110314691
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name4-fluoro-3-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCc2cc(-c3ccccc3)on2)ccc1F
InChIInChI=1S/C18H17FN2O3S/c1-13-11-16(7-8-17(13)19)25(22,23)20-10-9-15-12-18(24-21-15)14-5-3-2-4-6-14/h2-8,11-12,20H,9-10H2,1H3
InChIKeyLUXYJHHLQCRZOS-UHFFFAOYSA-N
XLogP3.31
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(5-phenyl-1,2-oxazol-3-yl)ethylsulfamoyl]phenyl]acetamide
CID 110314714
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide
CID 110314681
4-fluoro-3-methyl-N-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110284985
6-chloro-N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]pyridine-3-sulfonamide
CID 110312503
2-methoxy-5-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide
CID 110314695
4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397955
5-chloro-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 110314704
4-fluoro-3-methyl-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]benzenesulfonamide
CID 110320313
4-fluoro-3-methyl-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 110660652
4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267445
4-fluoro-3-methyl-N-[2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzenesulfonamide
CID 110321246

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide (CID 110314691) is 4-fluoro-3-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCCc2cc(-c3ccccc3)on2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is LUXYJHHLQCRZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-13-11-16(7-8-17(13)19)25(22,23)20-10-9-15-12-18(24-21-15)14-5-3-2-4-6-14/h2-8,11-12,20H,9-10H2,1H3.
What are the key properties of 4-fluoro-3-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 360.41 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110314691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).