(2S)-1-(3-chlorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine

C18H20ClNO3S — CID 141047061

IUPAC(2S)-1-(3-chlorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCC[C@H]1COCc1ccccc1
InChIInChI=1S/C18H20ClNO3S/c19-16-8-4-10-18(12-16)24(21,22)20-11-5-9-17(20)14-23-13-15-6-2-1-3-7-15/h1-4,6-8,10,12,17H,5,9,11,13-14H2/t17-/m0/s1
InChIKeyCNZCYBONPWAFFJ-KRWDZBQOSA-N
MW365.88 g/mol
LogP3.71
Rot. Bonds6

About (2S)-1-(3-chlorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine

(2S)-1-(3-chlorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine (PubChem CID 141047061) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is (2S)-1-(3-chlorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-(3-chlorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine
PubChem CID141047061
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name(2S)-1-(3-chlorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCC[C@H]1COCc1ccccc1
InChIInChI=1S/C18H20ClNO3S/c19-16-8-4-10-18(12-16)24(21,22)20-11-5-9-17(20)14-23-13-15-6-2-1-3-7-15/h1-4,6-8,10,12,17H,5,9,11,13-14H2/t17-/m0/s1
InChIKeyCNZCYBONPWAFFJ-KRWDZBQOSA-N
XLogP3.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-1-(3-chlorophenyl)sulfonylpyrrolidine
CID 24627301
(2S)-2-(phenylmethoxymethyl)-1-(3-thiophen-2-ylsulfonylphenyl)sulfonylpyrrolidine
CID 150243178
1-(3-chlorophenyl)sulfonyl-2-ethylpyrrolidine
CID 110604704
2-(chloromethyl)-1-(3-chlorophenyl)sulfonylpiperidine
CID 63396610
(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 45290955
2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]acetamide
CID 70264662
1-(3-chlorophenyl)sulfonyl-2-cyclobutylpyrrolidine
CID 110871963
1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine
CID 110728313
5-[2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl-1-[(4-phenylmethoxyphenyl)methyl]indole-2,3-dione
CID 68907020
2-(benzenesulfonylmethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 90585721
3-(3-chlorophenyl)-1-[4-[(2S)-2-(phenylmethoxymethyl)pyrrolidin-1-yl]piperidin-1-yl]propan-1-one
CID 99983910
1-(3-chlorophenyl)sulfonylazepan-2-amine
CID 64560340

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-chlorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine?
The IUPAC name of (2S)-1-(3-chlorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine (CID 141047061) is (2S)-1-(3-chlorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-(3-chlorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-1-(3-chlorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine is O=S(=O)(c1cccc(Cl)c1)N1CCC[C@H]1COCc1ccccc1.
What is the InChIKey of (2S)-1-(3-chlorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine?
The InChIKey is CNZCYBONPWAFFJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c19-16-8-4-10-18(12-16)24(21,22)20-11-5-9-17(20)14-23-13-15-6-2-1-3-7-15/h1-4,6-8,10,12,17H,5,9,11,13-14H2/t17-/m0/s1.
What are the key properties of (2S)-1-(3-chlorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine?
(2S)-1-(3-chlorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine has a molecular weight of 365.88 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-chlorophenyl)sulfonyl-2-(phenylmethoxymethyl)pyrrolidine is sourced from PubChem (CID 141047061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).