N-(3-hydroxyphenyl)sulfonyl-N-pyrrol-1-ylacetamide

C12H12N2O4S — CID 118078330

IUPACN-(3-hydroxyphenyl)sulfonyl-N-pyrrol-1-ylacetamide
SMILESCC(=O)N(n1cccc1)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C12H12N2O4S/c1-10(15)14(13-7-2-3-8-13)19(17,18)12-6-4-5-11(16)9-12/h2-9,16H,1H3
InChIKeyXWCHBRQEAUEQDL-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.07
Rot. Bonds3

About N-(3-hydroxyphenyl)sulfonyl-N-pyrrol-1-ylacetamide

N-(3-hydroxyphenyl)sulfonyl-N-pyrrol-1-ylacetamide (PubChem CID 118078330) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)sulfonyl-N-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)sulfonyl-N-pyrrol-1-ylacetamide
PubChem CID118078330
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC NameN-(3-hydroxyphenyl)sulfonyl-N-pyrrol-1-ylacetamide
SMILESCC(=O)N(n1cccc1)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C12H12N2O4S/c1-10(15)14(13-7-2-3-8-13)19(17,18)12-6-4-5-11(16)9-12/h2-9,16H,1H3
InChIKeyXWCHBRQEAUEQDL-UHFFFAOYSA-N
XLogP1.07
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)sulfonyl-N-pyrrol-1-ylacetamide?
The IUPAC name of N-(3-hydroxyphenyl)sulfonyl-N-pyrrol-1-ylacetamide (CID 118078330) is N-(3-hydroxyphenyl)sulfonyl-N-pyrrol-1-ylacetamide.
What is the SMILES notation for N-(3-hydroxyphenyl)sulfonyl-N-pyrrol-1-ylacetamide?
The canonical SMILES for N-(3-hydroxyphenyl)sulfonyl-N-pyrrol-1-ylacetamide is CC(=O)N(n1cccc1)S(=O)(=O)c1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)sulfonyl-N-pyrrol-1-ylacetamide?
The InChIKey is XWCHBRQEAUEQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-10(15)14(13-7-2-3-8-13)19(17,18)12-6-4-5-11(16)9-12/h2-9,16H,1H3.
What are the key properties of N-(3-hydroxyphenyl)sulfonyl-N-pyrrol-1-ylacetamide?
N-(3-hydroxyphenyl)sulfonyl-N-pyrrol-1-ylacetamide has a molecular weight of 280.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)sulfonyl-N-pyrrol-1-ylacetamide is sourced from PubChem (CID 118078330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).