1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide

C15H13FN2O3S — CID 90624629

IUPAC1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NCc1ccccc1F
InChIInChI=1S/C15H13FN2O3S/c16-13-7-3-1-5-11(13)9-17-22(19,20)10-14-12-6-2-4-8-15(12)21-18-14/h1-8,17H,9-10H2
InChIKeyUELPVCLLWDISFN-UHFFFAOYSA-N
MW320.34 g/mol
LogP2.59
Rot. Bonds5

About 1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide (PubChem CID 90624629) has the molecular formula C15H13FN2O3S and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
PubChem CID90624629
Molecular FormulaC15H13FN2O3S
Molecular Weight320.34 g/mol
Exact Mass320.06
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NCc1ccccc1F
InChIInChI=1S/C15H13FN2O3S/c16-13-7-3-1-5-11(13)9-17-22(19,20)10-14-12-6-2-4-8-15(12)21-18-14/h1-8,17H,9-10H2
InChIKeyUELPVCLLWDISFN-UHFFFAOYSA-N
XLogP2.59
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-benzoxazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 72719861
1-(1,2-benzoxazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanesulfonamide
CID 90624581
1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane
CID 144673526
1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide
CID 90624437
1-(1,2-benzoxazol-3-yl)-N-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methyl]methanesulfonamide
CID 166330680
1-(1,2-benzoxazol-3-yl)-N-butylmethanesulfonamide
CID 90624393
1,2-benzoxazol-3-ylmethylsulfonylurea
CID 12507017
N-[(2-fluorophenyl)methyl]-1-phenylmethanesulfonamide
CID 7034179
1-(1,2-benzoxazol-3-yl)-N-(2-phenoxyethyl)methanesulfonamide
CID 90624648
1-(1,2-benzoxazol-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonamide
CID 72719857
1-(1,2-benzoxazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide
CID 90624527
1-(1,2-benzoxazol-3-yl)-N-(4-methylphenyl)methanesulfonamide
CID 90624521

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide (CID 90624629) is 1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide is O=S(=O)(Cc1noc2ccccc12)NCc1ccccc1F.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide?
The InChIKey is UELPVCLLWDISFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3S/c16-13-7-3-1-5-11(13)9-17-22(19,20)10-14-12-6-2-4-8-15(12)21-18-14/h1-8,17H,9-10H2.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide has a molecular weight of 320.34 g/mol, XLogP of 2.59, 5 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-[(2-fluorophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 90624629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).