1-[(2R)-2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone

C19H20ClNO3S — CID 97415002

IUPAC1-[(2R)-2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H20ClNO3S/c20-18-11-5-4-7-15(18)13-19(22)21-12-6-8-16(21)14-25(23,24)17-9-2-1-3-10-17/h1-5,7,9-11,16H,6,8,12-14H2/t16-/m1/s1
InChIKeyXIACEGJTKBYRFG-MRXNPFEDSA-N
MW377.89 g/mol
LogP3.35
Rot. Bonds5

About 1-[(2R)-2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone

1-[(2R)-2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone (PubChem CID 97415002) has the molecular formula C19H20ClNO3S and a molecular weight of 377.89 g/mol. Its IUPAC name is 1-[(2R)-2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone
PubChem CID97415002
Molecular FormulaC19H20ClNO3S
Molecular Weight377.89 g/mol
Exact Mass377.09
IUPAC Name1-[(2R)-2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H20ClNO3S/c20-18-11-5-4-7-15(18)13-19(22)21-12-6-8-16(21)14-25(23,24)17-9-2-1-3-10-17/h1-5,7,9-11,16H,6,8,12-14H2/t16-/m1/s1
InChIKeyXIACEGJTKBYRFG-MRXNPFEDSA-N
XLogP3.35
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone?
The IUPAC name of 1-[(2R)-2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone (CID 97415002) is 1-[(2R)-2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone.
What is the SMILES notation for 1-[(2R)-2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone?
The canonical SMILES for 1-[(2R)-2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone is O=C(Cc1ccccc1Cl)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[(2R)-2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone?
The InChIKey is XIACEGJTKBYRFG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20ClNO3S/c20-18-11-5-4-7-15(18)13-19(22)21-12-6-8-16(21)14-25(23,24)17-9-2-1-3-10-17/h1-5,7,9-11,16H,6,8,12-14H2/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone?
1-[(2R)-2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone has a molecular weight of 377.89 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone is sourced from PubChem (CID 97415002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).