(2R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(furan-2-yl)pyrrolidine

C15H16ClNO4S — CID 51550831

IUPAC(2R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(furan-2-yl)pyrrolidine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)cc1Cl
InChIInChI=1S/C15H16ClNO4S/c1-20-14-7-6-11(10-12(14)16)22(18,19)17-8-2-4-13(17)15-5-3-9-21-15/h3,5-7,9-10,13H,2,4,8H2,1H3/t13-/m1/s1
InChIKeyHHVFCQZVCLPNJW-CYBMUJFWSA-N
MW341.82 g/mol
LogP3.47
Rot. Bonds4

About (2R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(furan-2-yl)pyrrolidine

(2R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(furan-2-yl)pyrrolidine (PubChem CID 51550831) has the molecular formula C15H16ClNO4S and a molecular weight of 341.82 g/mol. Its IUPAC name is (2R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(furan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(furan-2-yl)pyrrolidine
PubChem CID51550831
Molecular FormulaC15H16ClNO4S
Molecular Weight341.82 g/mol
Exact Mass341.05
IUPAC Name(2R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(furan-2-yl)pyrrolidine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)cc1Cl
InChIInChI=1S/C15H16ClNO4S/c1-20-14-7-6-11(10-12(14)16)22(18,19)17-8-2-4-13(17)15-5-3-9-21-15/h3,5-7,9-10,13H,2,4,8H2,1H3/t13-/m1/s1
InChIKeyHHVFCQZVCLPNJW-CYBMUJFWSA-N
XLogP3.47
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 46366395
(2S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine
CID 51550818
1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 20895729
(2R)-1-(benzenesulfonyl)-2-(furan-2-yl)pyrrolidine
CID 51550819
(2R)-1-[3-fluoro-4-(oxan-4-yloxy)phenyl]sulfonyl-2-(furan-2-yl)pyrrolidine
CID 99823476
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 53096226
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine
CID 47411048
(2S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(furan-2-yl)pyrrolidine
CID 99324019
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-2-(furan-2-yl)pyrrolidine
CID 126772153
N-[4-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 20895730
5-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 92732059
(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 9190208

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(furan-2-yl)pyrrolidine?
The IUPAC name of (2R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(furan-2-yl)pyrrolidine (CID 51550831) is (2R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(furan-2-yl)pyrrolidine.
What is the SMILES notation for (2R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(furan-2-yl)pyrrolidine?
The canonical SMILES for (2R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(furan-2-yl)pyrrolidine is COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)cc1Cl.
What is the InChIKey of (2R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(furan-2-yl)pyrrolidine?
The InChIKey is HHVFCQZVCLPNJW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16ClNO4S/c1-20-14-7-6-11(10-12(14)16)22(18,19)17-8-2-4-13(17)15-5-3-9-21-15/h3,5-7,9-10,13H,2,4,8H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(furan-2-yl)pyrrolidine?
(2R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(furan-2-yl)pyrrolidine has a molecular weight of 341.82 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(furan-2-yl)pyrrolidine is sourced from PubChem (CID 51550831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).