N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C19H20FN3O3S — CID 112983434

IUPACN-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(NCCc2ccccc2F)cc1
InChIInChI=1S/C19H20FN3O3S/c1-13-19(14(2)26-22-13)27(24,25)23-17-9-7-16(8-10-17)21-12-11-15-5-3-4-6-18(15)20/h3-10,21,23H,11-12H2,1-2H3
InChIKeyBAZSNKVMIUPXIM-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.89
Rot. Bonds7

About N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 112983434) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID112983434
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC NameN-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1ccc(NCCc2ccccc2F)cc1
InChIInChI=1S/C19H20FN3O3S/c1-13-19(14(2)26-22-13)27(24,25)23-17-9-7-16(8-10-17)21-12-11-15-5-3-4-6-18(15)20/h3-10,21,23H,11-12H2,1-2H3
InChIKeyBAZSNKVMIUPXIM-UHFFFAOYSA-N
XLogP3.89
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 112983433
N-[4-(2-fluoroanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986818
N-[4-(2-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986500
N-[4-[2-(cyclohexen-1-yl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112980886
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 3241358
N-[4-(N-ethylanilino)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 112986593
3,5-dimethyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]-1,2-oxazole-4-sulfonamide
CID 113011636
3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072
3,5-dimethyl-N-[4-(propan-2-ylamino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112979926
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
N-[6-(2,6-difluoroanilino)-3-pyridinyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113023189
N-[2-(hydroxymethyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 60640605

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 112983434) is N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1ccc(NCCc2ccccc2F)cc1.
What is the InChIKey of N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is BAZSNKVMIUPXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-13-19(14(2)26-22-13)27(24,25)23-17-9-7-16(8-10-17)21-12-11-15-5-3-4-6-18(15)20/h3-10,21,23H,11-12H2,1-2H3.
What are the key properties of N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 389.45 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 112983434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).