1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane

C12H18N2O3S — CID 144673526

IUPAC1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane
SMILESCC.CCNS(=O)(=O)Cc1noc2ccccc12
InChIInChI=1S/C10H12N2O3S.C2H6/c1-2-11-16(13,14)7-9-8-5-3-4-6-10(8)15-12-9;1-2/h3-6,11H,2,7H2,1H3;1-2H3
InChIKeyVZDYVBIXESNSFZ-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.29
Rot. Bonds4

About 1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane

1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane (PubChem CID 144673526) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane
PubChem CID144673526
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane
SMILESCC.CCNS(=O)(=O)Cc1noc2ccccc12
InChIInChI=1S/C10H12N2O3S.C2H6/c1-2-11-16(13,14)7-9-8-5-3-4-6-10(8)15-12-9;1-2/h3-6,11H,2,7H2,1H3;1-2H3
InChIKeyVZDYVBIXESNSFZ-UHFFFAOYSA-N
XLogP2.29
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,2-benzoxazol-3-yl)-N-butylmethanesulfonamide
CID 90624393
1-(1,2-benzoxazol-3-yl)-N-(4-methylphenyl)methanesulfonamide
CID 90624521
1,2-benzoxazol-3-ylmethylsulfonylurea
CID 12507017
1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide
CID 90624669
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-(2-phenoxyethyl)methanesulfonamide
CID 90624648
1-(1,2-benzoxazol-3-yl)-N-[2-(4-methoxyphenyl)ethyl]methanesulfonamide
CID 90624501
1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide
CID 90624437
1-(1,2-benzoxazol-3-yl)-N-(4-methylpiperazin-1-yl)methanesulfonamide
CID 90624542
1-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)methanesulfonamide
CID 90624516

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane (CID 144673526) is 1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane is CC.CCNS(=O)(=O)Cc1noc2ccccc12.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane?
The InChIKey is VZDYVBIXESNSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S.C2H6/c1-2-11-16(13,14)7-9-8-5-3-4-6-10(8)15-12-9;1-2/h3-6,11H,2,7H2,1H3;1-2H3.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane?
1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane has a molecular weight of 270.35 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane is sourced from PubChem (CID 144673526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).