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

C16H14N2O4S — CID 72719846

IUPACN-(3-acetylphenyl)-1-(1,2-benzoxazol-3-yl)methanesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)Cc2noc3ccccc23)c1
InChIInChI=1S/C16H14N2O4S/c1-11(19)12-5-4-6-13(9-12)18-23(20,21)10-15-14-7-2-3-8-16(14)22-17-15/h2-9,18H,10H2,1H3
InChIKeyTZOGLRQUNPFFFU-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.97
Rot. Bonds5

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

N-(3-acetylphenyl)-1-(1,2-benzoxazol-3-yl)methanesulfonamide (PubChem CID 72719846) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(1,2-benzoxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(1,2-benzoxazol-3-yl)methanesulfonamide
PubChem CID72719846
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC NameN-(3-acetylphenyl)-1-(1,2-benzoxazol-3-yl)methanesulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)Cc2noc3ccccc23)c1
InChIInChI=1S/C16H14N2O4S/c1-11(19)12-5-4-6-13(9-12)18-23(20,21)10-15-14-7-2-3-8-16(14)22-17-15/h2-9,18H,10H2,1H3
InChIKeyTZOGLRQUNPFFFU-UHFFFAOYSA-N
XLogP2.97
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,2-benzoxazol-3-yl)-N-(3-hydroxyphenyl)methanesulfonamide
CID 90624474
1-(1,2-benzoxazol-3-yl)-N-(4-methylphenyl)methanesulfonamide
CID 90624521
N-[4-(1,2-benzoxazol-3-ylmethylsulfonylamino)phenyl]sulfonylacetamide
CID 90624464
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
ethyl 4-(1,2-benzoxazol-3-ylmethylsulfonylamino)benzoate
CID 90624454
N-[3-[(1R)-1-(1,2-benzoxazol-3-ylmethylsulfonylamino)ethyl]phenyl]acetamide
CID 99819845
1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide
CID 90624437
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8983290
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
1,2-benzoxazol-3-ylmethylsulfonylurea
CID 12507017

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(1,2-benzoxazol-3-yl)methanesulfonamide?
The IUPAC name of N-(3-acetylphenyl)-1-(1,2-benzoxazol-3-yl)methanesulfonamide (CID 72719846) is N-(3-acetylphenyl)-1-(1,2-benzoxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(1,2-benzoxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(1,2-benzoxazol-3-yl)methanesulfonamide is CC(=O)c1cccc(NS(=O)(=O)Cc2noc3ccccc23)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-(1,2-benzoxazol-3-yl)methanesulfonamide?
The InChIKey is TZOGLRQUNPFFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-11(19)12-5-4-6-13(9-12)18-23(20,21)10-15-14-7-2-3-8-16(14)22-17-15/h2-9,18H,10H2,1H3.
What are the key properties of N-(3-acetylphenyl)-1-(1,2-benzoxazol-3-yl)methanesulfonamide?
N-(3-acetylphenyl)-1-(1,2-benzoxazol-3-yl)methanesulfonamide has a molecular weight of 330.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-(1,2-benzoxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 72719846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).