1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide

C14H11FN2O3S — CID 90624437

IUPAC1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)Nc1ccc(F)cc1
InChIInChI=1S/C14H11FN2O3S/c15-10-5-7-11(8-6-10)17-21(18,19)9-13-12-3-1-2-4-14(12)20-16-13/h1-8,17H,9H2
InChIKeyLKESNFJCKFHPFR-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.91
Rot. Bonds4

About 1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide (PubChem CID 90624437) has the molecular formula C14H11FN2O3S and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide
PubChem CID90624437
Molecular FormulaC14H11FN2O3S
Molecular Weight306.32 g/mol
Exact Mass306.05
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)Nc1ccc(F)cc1
InChIInChI=1S/C14H11FN2O3S/c15-10-5-7-11(8-6-10)17-21(18,19)9-13-12-3-1-2-4-14(12)20-16-13/h1-8,17H,9H2
InChIKeyLKESNFJCKFHPFR-UHFFFAOYSA-N
XLogP2.91
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-benzoxazol-3-yl)-N-(4-methylphenyl)methanesulfonamide
CID 90624521
1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide
CID 90624669
4-(1,2-benzoxazol-3-ylmethylsulfonylamino)-N-pyrimidin-2-ylbenzenesulfonamide
CID 72719854
1-(1,2-benzoxazol-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonamide
CID 72719857
1-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)methanesulfonamide
CID 90624516
N-[4-(1,2-benzoxazol-3-ylmethylsulfonylamino)phenyl]sulfonylacetamide
CID 90624464
1-(1,2-benzoxazol-3-yl)-N-(3-hydroxyphenyl)methanesulfonamide
CID 90624474
1-(1,2-benzoxazol-3-yl)-N-(2-ethoxypyrimidin-5-yl)methanesulfonamide
CID 122302144
1-(1,2-benzoxazol-3-yl)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]methanesulfonamide
CID 97306575
1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 90624629
N-(3-acetylphenyl)-1-(1,2-benzoxazol-3-yl)methanesulfonamide
CID 72719846
N-[2-[4-(1,2-benzoxazol-3-ylmethylsulfonylamino)phenoxy]ethyl]acetamide
CID 90624645

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide (CID 90624437) is 1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1noc2ccccc12)Nc1ccc(F)cc1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide?
The InChIKey is LKESNFJCKFHPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S/c15-10-5-7-11(8-6-10)17-21(18,19)9-13-12-3-1-2-4-14(12)20-16-13/h1-8,17H,9H2.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide has a molecular weight of 306.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 90624437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).