(3R,4S)-3-(1-chloroethenyl)-4-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine

C14H18ClNO3S — CID 11472530

IUPAC(3R,4S)-3-(1-chloroethenyl)-4-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESC=C(Cl)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)C[C@H]1OC
InChIInChI=1S/C14H18ClNO3S/c1-10-4-6-12(7-5-10)20(17,18)16-8-13(11(2)15)14(9-16)19-3/h4-7,13-14H,2,8-9H2,1,3H3/t13-,14+/m0/s1
InChIKeyWMGRJTLWIUWTIT-UONOGXRCSA-N
MW315.82 g/mol
LogP2.38
Rot. Bonds4

About (3R,4S)-3-(1-chloroethenyl)-4-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine

(3R,4S)-3-(1-chloroethenyl)-4-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine (PubChem CID 11472530) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is (3R,4S)-3-(1-chloroethenyl)-4-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(3R,4S)-3-(1-chloroethenyl)-4-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
PubChem CID11472530
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name(3R,4S)-3-(1-chloroethenyl)-4-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
SMILESC=C(Cl)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)C[C@H]1OC
InChIInChI=1S/C14H18ClNO3S/c1-10-4-6-12(7-5-10)20(17,18)16-8-13(11(2)15)14(9-16)19-3/h4-7,13-14H,2,8-9H2,1,3H3/t13-,14+/m0/s1
InChIKeyWMGRJTLWIUWTIT-UONOGXRCSA-N
XLogP2.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-3-(1-chloroethenyl)-4-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4R)-4-(1-bromoethenyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 11336921
(3S,4S)-3-(1-bromoethenyl)-1-(4-methylphenyl)sulfonyl-4-[1-(4-methylphenyl)sulfonylethenyl]pyrrolidine
CID 11225977
4-(3,4-dimethoxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 103531389
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
[4-(chloromethyl)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl] acetate
CID 72829703
(3S,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 135044668
(3R,5S)-5-methyl-1-(4-methylphenyl)sulfonylpiperidin-3-ol
CID 135044550
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
4-[(3R,4R)-4-hydroxy-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]oxybenzaldehyde
CID 131740001
methyl (3S,4R)-1-(4-methylphenyl)sulfonyl-4-(2-oxopropyl)pyrrolidine-3-carboxylate
CID 102440617
sodium 1-(4-methylphenyl)sulfonylazetidine-3-carboxylate
CID 140937929
(3R)-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-ylpyrrolidine
CID 134851908

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-(1-chloroethenyl)-4-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine?
The IUPAC name of (3R,4S)-3-(1-chloroethenyl)-4-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine (CID 11472530) is (3R,4S)-3-(1-chloroethenyl)-4-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for (3R,4S)-3-(1-chloroethenyl)-4-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine?
The canonical SMILES for (3R,4S)-3-(1-chloroethenyl)-4-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine is C=C(Cl)[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)C[C@H]1OC.
What is the InChIKey of (3R,4S)-3-(1-chloroethenyl)-4-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine?
The InChIKey is WMGRJTLWIUWTIT-UONOGXRCSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-10-4-6-12(7-5-10)20(17,18)16-8-13(11(2)15)14(9-16)19-3/h4-7,13-14H,2,8-9H2,1,3H3/t13-,14+/m0/s1.
What are the key properties of (3R,4S)-3-(1-chloroethenyl)-4-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine?
(3R,4S)-3-(1-chloroethenyl)-4-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine has a molecular weight of 315.82 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-(1-chloroethenyl)-4-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 11472530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).