N-[1-[2-[2-(3-chlorophenyl)phenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfinamide

C21H23ClN2O2S — CID 170293397

IUPACN-[1-[2-[2-(3-chlorophenyl)phenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfinamide
SMILESCS(=O)NC1CCN(C(=O)C2CC2c2ccccc2-c2cccc(Cl)c2)C1
InChIInChI=1S/C21H23ClN2O2S/c1-27(26)23-16-9-10-24(13-16)21(25)20-12-19(20)18-8-3-2-7-17(18)14-5-4-6-15(22)11-14/h2-8,11,16,19-20,23H,9-10,12-13H2,1H3
InChIKeyZARXEYJXFQASPP-UHFFFAOYSA-N
MW402.95 g/mol
LogP3.59
Rot. Bonds5

About N-[1-[2-[2-(3-chlorophenyl)phenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfinamide

N-[1-[2-[2-(3-chlorophenyl)phenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfinamide (PubChem CID 170293397) has the molecular formula C21H23ClN2O2S and a molecular weight of 402.95 g/mol. Its IUPAC name is N-[1-[2-[2-(3-chlorophenyl)phenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfinamide.

Molecular Properties

Compound NameN-[1-[2-[2-(3-chlorophenyl)phenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfinamide
PubChem CID170293397
Molecular FormulaC21H23ClN2O2S
Molecular Weight402.95 g/mol
Exact Mass402.12
IUPAC NameN-[1-[2-[2-(3-chlorophenyl)phenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfinamide
SMILESCS(=O)NC1CCN(C(=O)C2CC2c2ccccc2-c2cccc(Cl)c2)C1
InChIInChI=1S/C21H23ClN2O2S/c1-27(26)23-16-9-10-24(13-16)21(25)20-12-19(20)18-8-3-2-7-17(18)14-5-4-6-15(22)11-14/h2-8,11,16,19-20,23H,9-10,12-13H2,1H3
InChIKeyZARXEYJXFQASPP-UHFFFAOYSA-N
XLogP3.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-(3-chlorophenyl)phenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfinamide?
The IUPAC name of N-[1-[2-[2-(3-chlorophenyl)phenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfinamide (CID 170293397) is N-[1-[2-[2-(3-chlorophenyl)phenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfinamide.
What is the SMILES notation for N-[1-[2-[2-(3-chlorophenyl)phenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfinamide?
The canonical SMILES for N-[1-[2-[2-(3-chlorophenyl)phenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfinamide is CS(=O)NC1CCN(C(=O)C2CC2c2ccccc2-c2cccc(Cl)c2)C1.
What is the InChIKey of N-[1-[2-[2-(3-chlorophenyl)phenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfinamide?
The InChIKey is ZARXEYJXFQASPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2S/c1-27(26)23-16-9-10-24(13-16)21(25)20-12-19(20)18-8-3-2-7-17(18)14-5-4-6-15(22)11-14/h2-8,11,16,19-20,23H,9-10,12-13H2,1H3.
What are the key properties of N-[1-[2-[2-(3-chlorophenyl)phenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfinamide?
N-[1-[2-[2-(3-chlorophenyl)phenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfinamide has a molecular weight of 402.95 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-(3-chlorophenyl)phenyl]cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfinamide is sourced from PubChem (CID 170293397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).