N-(2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide

C19H22N2O3S — CID 4797888

IUPACN-(2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCCc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N2O3S/c22-19(20-13-12-16-6-2-1-3-7-16)17-8-10-18(11-9-17)25(23,24)21-14-4-5-15-21/h1-3,6-11H,4-5,12-15H2,(H,20,22)
InChIKeyLAKHIWHSYWISDF-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.44
Rot. Bonds6

About N-(2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 4797888) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID4797888
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCCc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N2O3S/c22-19(20-13-12-16-6-2-1-3-7-16)17-8-10-18(11-9-17)25(23,24)21-14-4-5-15-21/h1-3,6-11H,4-5,12-15H2,(H,20,22)
InChIKeyLAKHIWHSYWISDF-UHFFFAOYSA-N
XLogP2.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 4797888) is N-(2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(NCCc1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is LAKHIWHSYWISDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c22-19(20-13-12-16-6-2-1-3-7-16)17-8-10-18(11-9-17)25(23,24)21-14-4-5-15-21/h1-3,6-11H,4-5,12-15H2,(H,20,22).
What are the key properties of N-(2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 358.46 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 4797888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).