N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide

C13H18N2O3S — CID 7423207

IUPACN-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
SMILESO=C(NCCS(=O)(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C13H18N2O3S/c16-13(12-6-2-1-3-7-12)14-8-11-19(17,18)15-9-4-5-10-15/h1-3,6-7H,4-5,8-11H2,(H,14,16)
InChIKeyWZKDLIBBPHLTCB-UHFFFAOYSA-N
MW282.36 g/mol
LogP0.84
Rot. Bonds5

About N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide

N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide (PubChem CID 7423207) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
PubChem CID7423207
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
SMILESO=C(NCCS(=O)(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C13H18N2O3S/c16-13(12-6-2-1-3-7-12)14-8-11-19(17,18)15-9-4-5-10-15/h1-3,6-7H,4-5,8-11H2,(H,14,16)
InChIKeyWZKDLIBBPHLTCB-UHFFFAOYSA-N
XLogP0.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide?
The IUPAC name of N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide (CID 7423207) is N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide.
What is the SMILES notation for N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide?
The canonical SMILES for N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide is O=C(NCCS(=O)(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide?
The InChIKey is WZKDLIBBPHLTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-13(12-6-2-1-3-7-12)14-8-11-19(17,18)15-9-4-5-10-15/h1-3,6-7H,4-5,8-11H2,(H,14,16).
What are the key properties of N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide?
N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide has a molecular weight of 282.36 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide is sourced from PubChem (CID 7423207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).