[5-chloro-3-(3-methoxypyrrolidin-1-yl)sulfonyl-2-methylphenyl]methanol

C13H18ClNO4S — CID 103541089

IUPAC[5-chloro-3-(3-methoxypyrrolidin-1-yl)sulfonyl-2-methylphenyl]methanol
SMILESCOC1CCN(S(=O)(=O)c2cc(Cl)cc(CO)c2C)C1
InChIInChI=1S/C13H18ClNO4S/c1-9-10(8-16)5-11(14)6-13(9)20(17,18)15-4-3-12(7-15)19-2/h5-6,12,16H,3-4,7-8H2,1-2H3
InChIKeyJBPAJUHUILHTEI-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.55
Rot. Bonds4

About [5-chloro-3-(3-methoxypyrrolidin-1-yl)sulfonyl-2-methylphenyl]methanol

[5-chloro-3-(3-methoxypyrrolidin-1-yl)sulfonyl-2-methylphenyl]methanol (PubChem CID 103541089) has the molecular formula C13H18ClNO4S and a molecular weight of 319.81 g/mol. Its IUPAC name is [5-chloro-3-(3-methoxypyrrolidin-1-yl)sulfonyl-2-methylphenyl]methanol.

Molecular Properties

Compound Name[5-chloro-3-(3-methoxypyrrolidin-1-yl)sulfonyl-2-methylphenyl]methanol
PubChem CID103541089
Molecular FormulaC13H18ClNO4S
Molecular Weight319.81 g/mol
Exact Mass319.06
IUPAC Name[5-chloro-3-(3-methoxypyrrolidin-1-yl)sulfonyl-2-methylphenyl]methanol
SMILESCOC1CCN(S(=O)(=O)c2cc(Cl)cc(CO)c2C)C1
InChIInChI=1S/C13H18ClNO4S/c1-9-10(8-16)5-11(14)6-13(9)20(17,18)15-4-3-12(7-15)19-2/h5-6,12,16H,3-4,7-8H2,1-2H3
InChIKeyJBPAJUHUILHTEI-UHFFFAOYSA-N
XLogP1.55
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2,5-dichloro-3-(chloromethyl)phenyl]sulfonyl-3-methoxypyrrolidine
CID 103541205
[5-chloro-3-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylphenyl]methanol
CID 82879692
[3-bromo-5-(3-methoxypyrrolidin-1-yl)sulfonyl-4-methylphenyl]methanol
CID 103541087
[5-chloro-3-(2,6-dimethylthiomorpholin-4-yl)sulfonyl-2-methylphenyl]methanol
CID 82880059
3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylbenzoic acid
CID 103531357
[3-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanamine
CID 103541381
3-fluoro-5-(3-methoxypyrrolidin-1-yl)sulfonyl-4-methylaniline
CID 103530274
[5-chloro-2-methyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanol
CID 82879574
[4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970851
[5-chloro-2-methyl-3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 82885080
1-[5-(chloromethyl)-2,3-dimethylphenyl]sulfonyl-3-methoxypiperidine
CID 102969093
1-(3-chloro-4-methylphenyl)sulfonyl-3-methoxypyrrolidine
CID 131912181

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-(3-methoxypyrrolidin-1-yl)sulfonyl-2-methylphenyl]methanol?
The IUPAC name of [5-chloro-3-(3-methoxypyrrolidin-1-yl)sulfonyl-2-methylphenyl]methanol (CID 103541089) is [5-chloro-3-(3-methoxypyrrolidin-1-yl)sulfonyl-2-methylphenyl]methanol.
What is the SMILES notation for [5-chloro-3-(3-methoxypyrrolidin-1-yl)sulfonyl-2-methylphenyl]methanol?
The canonical SMILES for [5-chloro-3-(3-methoxypyrrolidin-1-yl)sulfonyl-2-methylphenyl]methanol is COC1CCN(S(=O)(=O)c2cc(Cl)cc(CO)c2C)C1.
What is the InChIKey of [5-chloro-3-(3-methoxypyrrolidin-1-yl)sulfonyl-2-methylphenyl]methanol?
The InChIKey is JBPAJUHUILHTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4S/c1-9-10(8-16)5-11(14)6-13(9)20(17,18)15-4-3-12(7-15)19-2/h5-6,12,16H,3-4,7-8H2,1-2H3.
What are the key properties of [5-chloro-3-(3-methoxypyrrolidin-1-yl)sulfonyl-2-methylphenyl]methanol?
[5-chloro-3-(3-methoxypyrrolidin-1-yl)sulfonyl-2-methylphenyl]methanol has a molecular weight of 319.81 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-(3-methoxypyrrolidin-1-yl)sulfonyl-2-methylphenyl]methanol is sourced from PubChem (CID 103541089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).