2-(benzenesulfonyl)-N,N-dimethylacetamide

C10H13NO3S — CID 13344619

IUPAC2-(benzenesulfonyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13NO3S/c1-11(2)10(12)8-15(13,14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyBZHJAEJMSWVSHX-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.55
Rot. Bonds3

About 2-(benzenesulfonyl)-N,N-dimethylacetamide

2-(benzenesulfonyl)-N,N-dimethylacetamide (PubChem CID 13344619) has the molecular formula C10H13NO3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N,N-dimethylacetamide
PubChem CID13344619
Molecular FormulaC10H13NO3S
Molecular Weight227.29 g/mol
Exact Mass227.06
IUPAC Name2-(benzenesulfonyl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13NO3S/c1-11(2)10(12)8-15(13,14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyBZHJAEJMSWVSHX-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Benzenesulfonyl)-1-piperidin-1-ylethanone
CID 975540
2-(4-chlorophenyl)sulfonyl-N,N-dimethylacetamide
CID 2819413
1-(Azepan-1-yl)-2-(benzenesulfonyl)ethanone
CID 851316
N,N-dimethyl-2-[(4-methylphenyl)sulfonyl]acetamide
CID 975418
2-(benzenesulfonyl)-N-propan-2-ylacetamide
CID 3324748
1-(4-Methylsulfonylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 2971495
(2E)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)(phenylsulfonyl)ethanenitrile
CID 1832447
4-(benzenesulfonyl)-N,N-dimethylbutan-1-amine
CID 73351203
Phenylsulfonylacetone
CID 735827
2-(Phenylsulfinyl)acetamide
CID 12335699
2-(benzenesulfonyl)-N-propylacetamide
CID 4683894
3-(Phenylsulfonyl)propanamide
CID 853565

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N,N-dimethylacetamide?
The IUPAC name of 2-(benzenesulfonyl)-N,N-dimethylacetamide (CID 13344619) is 2-(benzenesulfonyl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N,N-dimethylacetamide is CN(C)C(=O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N,N-dimethylacetamide?
The InChIKey is BZHJAEJMSWVSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-11(2)10(12)8-15(13,14)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of 2-(benzenesulfonyl)-N,N-dimethylacetamide?
2-(benzenesulfonyl)-N,N-dimethylacetamide has a molecular weight of 227.29 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N,N-dimethylacetamide is sourced from PubChem (CID 13344619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).