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

C16H16N2O4S — CID 90624648

IUPAC1-(1,2-benzoxazol-3-yl)-N-(2-phenoxyethyl)methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NCCOc1ccccc1
InChIInChI=1S/C16H16N2O4S/c19-23(20,17-10-11-21-13-6-2-1-3-7-13)12-15-14-8-4-5-9-16(14)22-18-15/h1-9,17H,10-12H2
InChIKeyWSGPYOJQFUKULI-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.33
Rot. Bonds7

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

1-(1,2-benzoxazol-3-yl)-N-(2-phenoxyethyl)methanesulfonamide (PubChem CID 90624648) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-(2-phenoxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-(2-phenoxyethyl)methanesulfonamide
PubChem CID90624648
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-(2-phenoxyethyl)methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)NCCOc1ccccc1
InChIInChI=1S/C16H16N2O4S/c19-23(20,17-10-11-21-13-6-2-1-3-7-13)12-15-14-8-4-5-9-16(14)22-18-15/h1-9,17H,10-12H2
InChIKeyWSGPYOJQFUKULI-UHFFFAOYSA-N
XLogP2.33
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1,2-benzoxazol-3-yl)-N-butylmethanesulfonamide
CID 90624393
N-[2-[4-(1,2-benzoxazol-3-ylmethylsulfonylamino)phenoxy]ethyl]acetamide
CID 90624645
1-(1,2-benzoxazol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 90624501
1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane
CID 144673526
1-(1,2-benzoxazol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]methanesulfonamide
CID 90624527
1-(1,2-benzoxazol-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]methanesulfonamide
CID 90624426
1-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)methanesulfonamide
CID 90624516
1,2-benzoxazol-3-ylmethylsulfonylurea
CID 12507017
1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 90624629
1-(1,2-benzoxazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanesulfonamide
CID 72719861
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-(4-fluorophenyl)methanesulfonamide
CID 90624437

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(2-phenoxyethyl)methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(2-phenoxyethyl)methanesulfonamide (CID 90624648) is 1-(1,2-benzoxazol-3-yl)-N-(2-phenoxyethyl)methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-(2-phenoxyethyl)methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-(2-phenoxyethyl)methanesulfonamide is O=S(=O)(Cc1noc2ccccc12)NCCOc1ccccc1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-(2-phenoxyethyl)methanesulfonamide?
The InChIKey is WSGPYOJQFUKULI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c19-23(20,17-10-11-21-13-6-2-1-3-7-13)12-15-14-8-4-5-9-16(14)22-18-15/h1-9,17H,10-12H2.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-(2-phenoxyethyl)methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-(2-phenoxyethyl)methanesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-(2-phenoxyethyl)methanesulfonamide is sourced from PubChem (CID 90624648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).