1-(4-chloro-3-ethoxyphenyl)sulfonylpyrrolidine

C12H16ClNO3S — CID 850043

IUPAC1-(4-chloro-3-ethoxyphenyl)sulfonylpyrrolidine
SMILESCCOc1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C12H16ClNO3S/c1-2-17-12-9-10(5-6-11(12)13)18(15,16)14-7-3-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyJSUGWFAXMUENSI-UHFFFAOYSA-N
MW289.78 g/mol
LogP2.52
Rot. Bonds4

About 1-(4-chloro-3-ethoxyphenyl)sulfonylpyrrolidine

1-(4-chloro-3-ethoxyphenyl)sulfonylpyrrolidine (PubChem CID 850043) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is 1-(4-chloro-3-ethoxyphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(4-chloro-3-ethoxyphenyl)sulfonylpyrrolidine
PubChem CID850043
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name1-(4-chloro-3-ethoxyphenyl)sulfonylpyrrolidine
SMILESCCOc1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C12H16ClNO3S/c1-2-17-12-9-10(5-6-11(12)13)18(15,16)14-7-3-4-8-14/h5-6,9H,2-4,7-8H2,1H3
InChIKeyJSUGWFAXMUENSI-UHFFFAOYSA-N
XLogP2.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chloro-3-methoxyphenyl)sulfonylazepane
CID 566595
4-chloro-N,N-diethyl-2,5-dimethoxybenzenesulfonamide
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2,4-dichloro-N,N-diethyl-5-methoxybenzenesulfonamide
CID 849946
4-chloro-3-methoxy-N,N-dipropylbenzenesulfonamide
CID 882485
4-chloro-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 934688
4-chloro-N-cyclohexyl-3-methoxybenzenesulfonamide
CID 934975
4-chloro-N-cyclopentyl-3-ethoxybenzenesulfonamide
CID 1256631
4-chloro-N-isopropyl-3-methoxybenzenesulfonamide
CID 1257337
1-(3,4-Dichloro-2-ethoxyphenyl)sulfonylpyrrolidine
CID 1259001
1-[(4-Chloro-3-ethoxyphenyl)sulfonyl]-4-ethylpiperazine
CID 1652551
4-Chloro-3-methoxy-N-(3-morpholin-4-yl-propyl)-benzenesulfonamide
CID 2899334
1-(4-Chloro-3-methoxy-benzenesulfonyl)-4-methyl-piperazine
CID 644637

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-ethoxyphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(4-chloro-3-ethoxyphenyl)sulfonylpyrrolidine (CID 850043) is 1-(4-chloro-3-ethoxyphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(4-chloro-3-ethoxyphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(4-chloro-3-ethoxyphenyl)sulfonylpyrrolidine is CCOc1cc(S(=O)(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-ethoxyphenyl)sulfonylpyrrolidine?
The InChIKey is JSUGWFAXMUENSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-2-17-12-9-10(5-6-11(12)13)18(15,16)14-7-3-4-8-14/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 1-(4-chloro-3-ethoxyphenyl)sulfonylpyrrolidine?
1-(4-chloro-3-ethoxyphenyl)sulfonylpyrrolidine has a molecular weight of 289.78 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-ethoxyphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 850043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).