N-(benzenesulfonyl)-N-pyrrol-1-ylacetamide

C12H12N2O3S — CID 118078369

IUPACN-(benzenesulfonyl)-N-pyrrol-1-ylacetamide
SMILESCC(=O)N(n1cccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H12N2O3S/c1-11(15)14(13-9-5-6-10-13)18(16,17)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyJDSWSBINPIFEPS-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.36
Rot. Bonds3

About N-(benzenesulfonyl)-N-pyrrol-1-ylacetamide

N-(benzenesulfonyl)-N-pyrrol-1-ylacetamide (PubChem CID 118078369) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is N-(benzenesulfonyl)-N-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-N-pyrrol-1-ylacetamide
PubChem CID118078369
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC NameN-(benzenesulfonyl)-N-pyrrol-1-ylacetamide
SMILESCC(=O)N(n1cccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H12N2O3S/c1-11(15)14(13-9-5-6-10-13)18(16,17)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyJDSWSBINPIFEPS-UHFFFAOYSA-N
XLogP1.36
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxyphenyl)sulfonyl-N-pyrrol-1-ylacetamide
CID 118078330
N-(benzenesulfonyl)-N-ethylacetamide
CID 138792566
N-(benzenesulfonyl)-N-(triazol-1-ylmethyl)acetamide
CID 168895048
N-(benzenesulfonyl)-N-(3-methylbutyl)acetamide
CID 118271385
1-(benzenesulfonyl)-1-carbamoylurea
CID 70230141
2-[benzenesulfonyl(methyl)amino]-2-methylpropanoic acid
CID 62818706
N-[4-(diphenylsulfamoyl)phenyl]acetamide
CID 4296300
[benzenesulfonyl(methyl)amino]urea
CID 172749121
N-(benzenesulfonyl)-N-(pyridin-2-ylmethyl)acetamide
CID 168810754
N-[4-[acetyl(benzenesulfonyl)amino]-2,3,5-trichlorophenyl]-N-(benzenesulfonyl)acetamide
CID 5117636
N,N',N'-triethylbenzenesulfonohydrazide
CID 173118176
N,N-bis(4-hydroxyphenyl)benzenesulfonamide
CID 44580343

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-N-pyrrol-1-ylacetamide?
The IUPAC name of N-(benzenesulfonyl)-N-pyrrol-1-ylacetamide (CID 118078369) is N-(benzenesulfonyl)-N-pyrrol-1-ylacetamide.
What is the SMILES notation for N-(benzenesulfonyl)-N-pyrrol-1-ylacetamide?
The canonical SMILES for N-(benzenesulfonyl)-N-pyrrol-1-ylacetamide is CC(=O)N(n1cccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-N-pyrrol-1-ylacetamide?
The InChIKey is JDSWSBINPIFEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-11(15)14(13-9-5-6-10-13)18(16,17)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of N-(benzenesulfonyl)-N-pyrrol-1-ylacetamide?
N-(benzenesulfonyl)-N-pyrrol-1-ylacetamide has a molecular weight of 264.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-N-pyrrol-1-ylacetamide is sourced from PubChem (CID 118078369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).