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

C19H22N2O3S — CID 1428538

IUPACN-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N2O3S/c1-2-15-7-3-4-8-18(15)20-19(22)16-9-11-17(12-10-16)25(23,24)21-13-5-6-14-21/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,20,22)
InChIKeyLLVGDVAEJCLTCW-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.29
Rot. Bonds5

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

N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 1428538) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID1428538
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC NameN-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H22N2O3S/c1-2-15-7-3-4-8-18(15)20-19(22)16-9-11-17(12-10-16)25(23,24)21-13-5-6-14-21/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,20,22)
InChIKeyLLVGDVAEJCLTCW-UHFFFAOYSA-N
XLogP3.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 1428538) is N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide is CCc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is LLVGDVAEJCLTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-2-15-7-3-4-8-18(15)20-19(22)16-9-11-17(12-10-16)25(23,24)21-13-5-6-14-21/h3-4,7-12H,2,5-6,13-14H2,1H3,(H,20,22).
What are the key properties of N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 358.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1428538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).