N-(benzenesulfonyl)-N-(triazol-1-ylmethyl)acetamide

C11H12N4O3S — CID 168895048

IUPACN-(benzenesulfonyl)-N-(triazol-1-ylmethyl)acetamide
SMILESCC(=O)N(Cn1ccnn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12N4O3S/c1-10(16)15(9-14-8-7-12-13-14)19(17,18)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyXMJSQCACWGOYGO-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.47
Rot. Bonds4

About N-(benzenesulfonyl)-N-(triazol-1-ylmethyl)acetamide

N-(benzenesulfonyl)-N-(triazol-1-ylmethyl)acetamide (PubChem CID 168895048) has the molecular formula C11H12N4O3S and a molecular weight of 280.31 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-(triazol-1-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-(triazol-1-ylmethyl)acetamide
PubChem CID168895048
Molecular FormulaC11H12N4O3S
Molecular Weight280.31 g/mol
Exact Mass280.06
IUPAC NameN-(benzenesulfonyl)-N-(triazol-1-ylmethyl)acetamide
SMILESCC(=O)N(Cn1ccnn1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12N4O3S/c1-10(16)15(9-14-8-7-12-13-14)19(17,18)11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyXMJSQCACWGOYGO-UHFFFAOYSA-N
XLogP0.47
TPSA85.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(benzenesulfonyl)-N-ethylacetamide
CID 138792566
N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide
CID 168810754
N-(benzenesulfonyl)-N-pyrrol-1-ylacetamide
CID 118078369
N-(benzenesulfonyl)-N-(3-methylbutyl)acetamide
CID 118271385
N-benzyl-N-pyridin-2-ylsulfonylacetamide
CID 102301715
1-(benzenesulfonyl)-1-(2-methylpropyl)urea
CID 154208378
3,3-dimethyl-1-(triazol-1-yl)butan-2-one
CID 19813968
2-(triazol-1-ylmethyl)phenol
CID 21198638
N-(2-hydroxy-2-phenylethyl)-3-(triazol-1-yl)propanamide
CID 43501203
4-anilino-N,N-dimethyl-1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxamide
CID 155874156
2-(triazol-1-ylmethyl)naphthalene-1-carboxylic acid
CID 68954128
N-benzyl-N-methyltriazole-1-carboxamide
CID 151801601

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-(triazol-1-ylmethyl)acetamide?
The IUPAC name of N-(benzenesulfonyl)-N-(triazol-1-ylmethyl)acetamide (CID 168895048) is N-(benzenesulfonyl)-N-(triazol-1-ylmethyl)acetamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-(triazol-1-ylmethyl)acetamide?
The canonical SMILES for N-(benzenesulfonyl)-N-(triazol-1-ylmethyl)acetamide is CC(=O)N(Cn1ccnn1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N-(triazol-1-ylmethyl)acetamide?
The InChIKey is XMJSQCACWGOYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3S/c1-10(16)15(9-14-8-7-12-13-14)19(17,18)11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of N-(benzenesulfonyl)-N-(triazol-1-ylmethyl)acetamide?
N-(benzenesulfonyl)-N-(triazol-1-ylmethyl)acetamide has a molecular weight of 280.31 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-(triazol-1-ylmethyl)acetamide is sourced from PubChem (CID 168895048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).