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

C16H16N2O4S — CID 72719861

IUPAC1-(1,2-benzoxazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)Cc1noc2ccccc12
InChIInChI=1S/C16H16N2O4S/c1-21-15-8-4-2-6-12(15)10-17-23(19,20)11-14-13-7-3-5-9-16(13)22-18-14/h2-9,17H,10-11H2,1H3
InChIKeyOYUATCUFDLDCLX-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.46
Rot. Bonds6

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

1-(1,2-benzoxazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanesulfonamide (PubChem CID 72719861) 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-methoxyphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanesulfonamide
PubChem CID72719861
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanesulfonamide
SMILESCOc1ccccc1CNS(=O)(=O)Cc1noc2ccccc12
InChIInChI=1S/C16H16N2O4S/c1-21-15-8-4-2-6-12(15)10-17-23(19,20)11-14-13-7-3-5-9-16(13)22-18-14/h2-9,17H,10-11H2,1H3
InChIKeyOYUATCUFDLDCLX-UHFFFAOYSA-N
XLogP2.46
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,2-benzoxazol-3-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanesulfonamide
CID 90624581
1-(1,2-benzoxazol-3-yl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 90624629
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-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane
CID 144673526
1-(1,2-benzoxazol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 90624501
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(1,2-benzoxazol-3-yl)acetate
CID 8982570
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-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 21041220
1-(1,2-benzoxazol-3-yl)-N-(2-phenoxyethyl)methanesulfonamide
CID 90624648
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-methoxyphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanesulfonamide (CID 72719861) is 1-(1,2-benzoxazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanesulfonamide is COc1ccccc1CNS(=O)(=O)Cc1noc2ccccc12.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanesulfonamide?
The InChIKey is OYUATCUFDLDCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-21-15-8-4-2-6-12(15)10-17-23(19,20)11-14-13-7-3-5-9-16(13)22-18-14/h2-9,17H,10-11H2,1H3.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-[(2-methoxyphenyl)methyl]methanesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 2.46, 6 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-methoxyphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 72719861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).