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

C17H15FN2O3S — CID 20917432

IUPACN-[(4-fluorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)on1
InChIInChI=1S/C17H15FN2O3S/c1-12-10-17(23-20-12)14-4-8-16(9-5-14)24(21,22)19-11-13-2-6-15(18)7-3-13/h2-10,19H,11H2,1H3
InChIKeyBHKVHXHMUUXCHW-UHFFFAOYSA-N
MW346.38 g/mol
LogP3.27
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 20917432) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID20917432
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1cc(-c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)on1
InChIInChI=1S/C17H15FN2O3S/c1-12-10-17(23-20-12)14-4-8-16(9-5-14)24(21,22)19-11-13-2-6-15(18)7-3-13/h2-10,19H,11H2,1H3
InChIKeyBHKVHXHMUUXCHW-UHFFFAOYSA-N
XLogP3.27
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 20917432) is N-[(4-fluorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is Cc1cc(-c2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc2)on1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is BHKVHXHMUUXCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-12-10-17(23-20-12)14-4-8-16(9-5-14)24(21,22)19-11-13-2-6-15(18)7-3-13/h2-10,19H,11H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
N-[(4-fluorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 346.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 20917432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).