4-chloro-N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide

C19H21ClN2O3S — CID 2985847

IUPAC4-chloro-N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCCc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H21ClN2O3S/c20-17-9-8-16(14-18(17)26(24,25)22-12-4-5-13-22)19(23)21-11-10-15-6-2-1-3-7-15/h1-3,6-9,14H,4-5,10-13H2,(H,21,23)
InChIKeyCIDJGFXRDVQNAC-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.10
Rot. Bonds6

About 4-chloro-N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide

4-chloro-N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2985847) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is 4-chloro-N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2985847
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Name4-chloro-N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCCc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C19H21ClN2O3S/c20-17-9-8-16(14-18(17)26(24,25)22-12-4-5-13-22)19(23)21-11-10-15-6-2-1-3-7-15/h1-3,6-9,14H,4-5,10-13H2,(H,21,23)
InChIKeyCIDJGFXRDVQNAC-UHFFFAOYSA-N
XLogP3.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 2985847) is 4-chloro-N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(NCCc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-chloro-N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is CIDJGFXRDVQNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c20-17-9-8-16(14-18(17)26(24,25)22-12-4-5-13-22)19(23)21-11-10-15-6-2-1-3-7-15/h1-3,6-9,14H,4-5,10-13H2,(H,21,23).
What are the key properties of 4-chloro-N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
4-chloro-N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 392.91 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-phenylethyl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2985847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).