1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine

C14H20ClNO3S — CID 47411048

IUPAC1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(C)C)cc1Cl
InChIInChI=1S/C14H20ClNO3S/c1-10(2)13-5-4-8-16(13)20(17,18)11-6-7-14(19-3)12(15)9-11/h6-7,9-10,13H,4-5,8H2,1-3H3
InChIKeyMWIUJOJPYKUDGU-UHFFFAOYSA-N
MW317.84 g/mol
LogP3.16
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine

1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine (PubChem CID 47411048) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine
PubChem CID47411048
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine
SMILESCOc1ccc(S(=O)(=O)N2CCCC2C(C)C)cc1Cl
InChIInChI=1S/C14H20ClNO3S/c1-10(2)13-5-4-8-16(13)20(17,18)11-6-7-14(19-3)12(15)9-11/h6-7,9-10,13H,4-5,8H2,1-3H3
InChIKeyMWIUJOJPYKUDGU-UHFFFAOYSA-N
XLogP3.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine 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

1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine
CID 110728313
2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 138998214
(2R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(furan-2-yl)pyrrolidine
CID 51550831
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 53096226
2-(3-chloro-4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867911
2-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline
CID 82844266
5-[1-(3-chloro-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 46366395
(3S)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 40650548
(4aS,8aS)-1-(3,4-dimethoxyphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 11926545
(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 9190208
(3R)-N-tert-butyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 41302661
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-ethylpyrrolidine-3-carboxylic acid
CID 154744802

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine (CID 47411048) is 1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine is COc1ccc(S(=O)(=O)N2CCCC2C(C)C)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine?
The InChIKey is MWIUJOJPYKUDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-10(2)13-5-4-8-16(13)20(17,18)11-6-7-14(19-3)12(15)9-11/h6-7,9-10,13H,4-5,8H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine?
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine has a molecular weight of 317.84 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 47411048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).