N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

C12H16N2O3S — CID 720658

IUPACN-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C12H16N2O3S/c1-10(15)13-11-4-6-12(7-5-11)18(16,17)14-8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,13,15)
InChIKeyFAAZVYRDPYXYPO-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.43
Rot. Bonds3

About N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide

N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (PubChem CID 720658) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
PubChem CID720658
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC NameN-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C12H16N2O3S/c1-10(15)13-11-4-6-12(7-5-11)18(16,17)14-8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,13,15)
InChIKeyFAAZVYRDPYXYPO-UHFFFAOYSA-N
XLogP1.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide (CID 720658) is N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is FAAZVYRDPYXYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-10(15)13-11-4-6-12(7-5-11)18(16,17)14-8-2-3-9-14/h4-7H,2-3,8-9H2,1H3,(H,13,15).
What are the key properties of N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide?
N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 268.34 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 720658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).