N-[(2-fluorophenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

C15H13FN2O4S — CID 110760792

IUPACN-[(2-fluorophenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCn1c(=O)oc2ccc(S(=O)(=O)NCc3ccccc3F)cc21
InChIInChI=1S/C15H13FN2O4S/c1-18-13-8-11(6-7-14(13)22-15(18)19)23(20,21)17-9-10-4-2-3-5-12(10)16/h2-8,17H,9H2,1H3
InChIKeyLNXSYDYXUNRZAI-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.75
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide

N-[(2-fluorophenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (PubChem CID 110760792) has the molecular formula C15H13FN2O4S and a molecular weight of 336.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
PubChem CID110760792
Molecular FormulaC15H13FN2O4S
Molecular Weight336.34 g/mol
Exact Mass336.06
IUPAC NameN-[(2-fluorophenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
SMILESCn1c(=O)oc2ccc(S(=O)(=O)NCc3ccccc3F)cc21
InChIInChI=1S/C15H13FN2O4S/c1-18-13-8-11(6-7-14(13)22-15(18)19)23(20,21)17-9-10-4-2-3-5-12(10)16/h2-8,17H,9H2,1H3
InChIKeyLNXSYDYXUNRZAI-UHFFFAOYSA-N
XLogP1.75
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 146025057
3-methyl-2-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-benzoxazole-5-sulfonamide
CID 121177946
N,3-dimethyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 83542954
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 39620815
3-methyl-2-oxo-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]-1,3-benzoxazole-5-sulfonamide
CID 97355097
3-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,3-benzoxazole-5-sulfonamide
CID 146025056
3-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 121020128
N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122303528
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122572680
N-cyano-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 146025046
N-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-sulfonamide
CID 110759634
3-methyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122353565

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide (CID 110760792) is N-[(2-fluorophenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is Cn1c(=O)oc2ccc(S(=O)(=O)NCc3ccccc3F)cc21.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
The InChIKey is LNXSYDYXUNRZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O4S/c1-18-13-8-11(6-7-14(13)22-15(18)19)23(20,21)17-9-10-4-2-3-5-12(10)16/h2-8,17H,9H2,1H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide?
N-[(2-fluorophenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide has a molecular weight of 336.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 110760792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).