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

C10H12N2O3S — CID 12506975

IUPAC1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide
SMILESCCNS(=O)(=O)Cc1noc2ccccc12
InChIInChI=1S/C10H12N2O3S/c1-2-11-16(13,14)7-9-8-5-3-4-6-10(8)15-12-9/h3-6,11H,2,7H2,1H3
InChIKeyZEFIZNRLWPRIAM-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.27
Rot. Bonds4

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

1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide (PubChem CID 12506975) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide
PubChem CID12506975
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide
SMILESCCNS(=O)(=O)Cc1noc2ccccc12
InChIInChI=1S/C10H12N2O3S/c1-2-11-16(13,14)7-9-8-5-3-4-6-10(8)15-12-9/h3-6,11H,2,7H2,1H3
InChIKeyZEFIZNRLWPRIAM-UHFFFAOYSA-N
XLogP1.27
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Zonisamide
CID 5734
3-Methyl-1,2-benzoxazole
CID 4068104
N-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propyl]-3-methylbenzenesulfonamide
CID 56933434
1,2-Benzoxazol-3-ylmethanesulfonimidic acid
CID 11967800
N-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-3-methylbenzenesulfonamide
CID 56944667
US11339151, Example 56
CID 163890379
1,2-Benzisoxazole-3-methanesulfonamide, 5-fluoro-
CID 332592
1,2-Benzisoxazole-3-acetamide
CID 323639
N-((1,2-Benzisoxazol-3-ylmethyl)sulfonyl)acetamide
CID 10467478
N-[(4-fluorophenyl)methyl]-4-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 20917432
N-[(3R)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide
CID 162652285
N-[(3R)-1-[3-(1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-4-fluorobenzenesulfonamide
CID 162656718

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide (CID 12506975) is 1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide is CCNS(=O)(=O)Cc1noc2ccccc12.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide?
The InChIKey is ZEFIZNRLWPRIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-2-11-16(13,14)7-9-8-5-3-4-6-10(8)15-12-9/h3-6,11H,2,7H2,1H3.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide has a molecular weight of 240.28 g/mol, XLogP of 1.27, 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 is sourced from PubChem (CID 12506975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).