N-(benzenesulfonyl)-N-ethylacetamide

C10H13NO3S — CID 138792566

IUPACN-(benzenesulfonyl)-N-ethylacetamide
SMILESCCN(C(C)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13NO3S/c1-3-11(9(2)12)15(13,14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyVPTMBBSYHLEOJB-UHFFFAOYSA-N
MW227.29 g/mol
LogP1.24
Rot. Bonds3

About N-(benzenesulfonyl)-N-ethylacetamide

N-(benzenesulfonyl)-N-ethylacetamide (PubChem CID 138792566) has the molecular formula C10H13NO3S and a molecular weight of 227.29 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-ethylacetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-ethylacetamide
PubChem CID138792566
Molecular FormulaC10H13NO3S
Molecular Weight227.29 g/mol
Exact Mass227.06
IUPAC NameN-(benzenesulfonyl)-N-ethylacetamide
SMILESCCN(C(C)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13NO3S/c1-3-11(9(2)12)15(13,14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyVPTMBBSYHLEOJB-UHFFFAOYSA-N
XLogP1.24
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(benzenesulfonyl)-N-(3-methylbutyl)acetamide
CID 118271385
N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide
CID 168810754
N-(benzenesulfonyl)-N-(triazol-1-ylmethyl)acetamide
CID 168895048
2-[benzenesulfonyl(methyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78767125
2-[benzenesulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 62818367
N,N',N'-triethylbenzenesulfonohydrazide
CID 173118176
1-(benzenesulfonyl)-1-(2-methylpropyl)urea
CID 154208378
3-[ethyl-(4-fluorophenyl)sulfonylamino]but-2-enoic acid
CID 174875867
ethyl-(4-nitrophenyl)sulfonylcarbamic acid
CID 175264245
N-(benzenesulfonyl)-N-pyrrol-1-ylacetamide
CID 118078369
N-ethyl-N-(1-oxo-1-phenylpropan-2-yl)benzenesulfonamide
CID 58597535
N,N-dipropylbenzenesulfonamide
CID 4053954

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-ethylacetamide?
The IUPAC name of N-(benzenesulfonyl)-N-ethylacetamide (CID 138792566) is N-(benzenesulfonyl)-N-ethylacetamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-ethylacetamide?
The canonical SMILES for N-(benzenesulfonyl)-N-ethylacetamide is CCN(C(C)=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N-ethylacetamide?
The InChIKey is VPTMBBSYHLEOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-3-11(9(2)12)15(13,14)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3.
What are the key properties of N-(benzenesulfonyl)-N-ethylacetamide?
N-(benzenesulfonyl)-N-ethylacetamide has a molecular weight of 227.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-ethylacetamide is sourced from PubChem (CID 138792566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).