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

C15H14N2O5S2 — CID 90624669

IUPAC1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C15H14N2O5S2/c1-23(18,19)12-8-6-11(7-9-12)17-24(20,21)10-14-13-4-2-3-5-15(13)22-16-14/h2-9,17H,10H2,1H3
InChIKeyNAPIVOVFQDWUAX-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.17
Rot. Bonds5

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

1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide (PubChem CID 90624669) has the molecular formula C15H14N2O5S2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide
PubChem CID90624669
Molecular FormulaC15H14N2O5S2
Molecular Weight366.42 g/mol
Exact Mass366.03
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide
SMILESCS(=O)(=O)c1ccc(NS(=O)(=O)Cc2noc3ccccc23)cc1
InChIInChI=1S/C15H14N2O5S2/c1-23(18,19)12-8-6-11(7-9-12)17-24(20,21)10-14-13-4-2-3-5-15(13)22-16-14/h2-9,17H,10H2,1H3
InChIKeyNAPIVOVFQDWUAX-UHFFFAOYSA-N
XLogP2.17
TPSA106.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-fluorophenyl)methanesulfonamide
CID 90624437
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-(3,5-dimethoxyphenyl)methanesulfonamide
CID 90624516
ethyl 4-(1,2-benzoxazol-3-ylmethylsulfonylamino)benzoate
CID 90624454
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-ethylmethanesulfonamide;ethane
CID 144673526
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
1-(1,2-benzoxazol-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonamide
CID 72719857

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide (CID 90624669) is 1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide is CS(=O)(=O)c1ccc(NS(=O)(=O)Cc2noc3ccccc23)cc1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide?
The InChIKey is NAPIVOVFQDWUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S2/c1-23(18,19)12-8-6-11(7-9-12)17-24(20,21)10-14-13-4-2-3-5-15(13)22-16-14/h2-9,17H,10H2,1H3.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide has a molecular weight of 366.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide is sourced from PubChem (CID 90624669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).