1-(1,2-benzoxazol-3-yl)-N-(3-hydroxyphenyl)methanesulfonamide

C14H12N2O4S — CID 90624474

IUPAC1-(1,2-benzoxazol-3-yl)-N-(3-hydroxyphenyl)methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)Nc1cccc(O)c1
InChIInChI=1S/C14H12N2O4S/c17-11-5-3-4-10(8-11)16-21(18,19)9-13-12-6-1-2-7-14(12)20-15-13/h1-8,16-17H,9H2
InChIKeyPJJVWECOPMEXBX-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.48
Rot. Bonds4

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

1-(1,2-benzoxazol-3-yl)-N-(3-hydroxyphenyl)methanesulfonamide (PubChem CID 90624474) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-(3-hydroxyphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-(3-hydroxyphenyl)methanesulfonamide
PubChem CID90624474
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-(3-hydroxyphenyl)methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)Nc1cccc(O)c1
InChIInChI=1S/C14H12N2O4S/c17-11-5-3-4-10(8-11)16-21(18,19)9-13-12-6-1-2-7-14(12)20-15-13/h1-8,16-17H,9H2
InChIKeyPJJVWECOPMEXBX-UHFFFAOYSA-N
XLogP2.48
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-1-(1,2-benzoxazol-3-yl)methanesulfonamide
CID 72719846
1-(1,2-benzoxazol-3-yl)-N-(4-methylphenyl)methanesulfonamide
CID 90624521
1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide
CID 90624437
1-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)methanesulfonamide
CID 90624516
1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide
CID 90624669
1-(1,2-benzoxazol-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonamide
CID 72719857
1-(1,2-benzoxazol-3-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide
CID 122283480
4-(1,2-benzoxazol-3-ylmethylsulfonylamino)-N-pyrimidin-2-ylbenzenesulfonamide
CID 72719854
N-[4-(1,2-benzoxazol-3-ylmethylsulfonylamino)phenyl]sulfonylacetamide
CID 90624464
1-(1,2-benzoxazol-3-yl)-N-(2-ethoxypyrimidin-5-yl)methanesulfonamide
CID 122302144
ethyl 4-(1,2-benzoxazol-3-ylmethylsulfonylamino)benzoate
CID 90624454
1,2-benzoxazol-3-ylmethylsulfonylurea
CID 12507017

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(3-hydroxyphenyl)methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(3-hydroxyphenyl)methanesulfonamide (CID 90624474) is 1-(1,2-benzoxazol-3-yl)-N-(3-hydroxyphenyl)methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-(3-hydroxyphenyl)methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-(3-hydroxyphenyl)methanesulfonamide is O=S(=O)(Cc1noc2ccccc12)Nc1cccc(O)c1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-(3-hydroxyphenyl)methanesulfonamide?
The InChIKey is PJJVWECOPMEXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c17-11-5-3-4-10(8-11)16-21(18,19)9-13-12-6-1-2-7-14(12)20-15-13/h1-8,16-17H,9H2.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-(3-hydroxyphenyl)methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-(3-hydroxyphenyl)methanesulfonamide has a molecular weight of 304.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-(3-hydroxyphenyl)methanesulfonamide is sourced from PubChem (CID 90624474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).