1-(4-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C13H19ClN2O3S — CID 66053365

IUPAC1-(4-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3S/c1-15(2)8-11-7-12(17)9-16(11)20(18,19)13-5-3-10(14)4-6-13/h3-6,11-12,17H,7-9H2,1-2H3
InChIKeyZWKXGVKFPZUVON-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.03
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-(4-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66053365) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66053365
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name1-(4-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3S/c1-15(2)8-11-7-12(17)9-16(11)20(18,19)13-5-3-10(14)4-6-13/h3-6,11-12,17H,7-9H2,1-2H3
InChIKeyZWKXGVKFPZUVON-UHFFFAOYSA-N
XLogP1.03
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-2-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66054137
5-[(dimethylamino)methyl]-1-(3,5-dimethylphenyl)sulfonylpyrrolidin-3-ol
CID 66053371
1-(4-bromo-3-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66052371
1-(4-amino-3-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66057372
1-(5-amino-2-fluorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66055391
1-(2-aminopyrimidin-5-yl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66051432
1-[3-(aminomethyl)phenyl]sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056012
1-(4-amino-2-fluorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056572
5-[(dimethylamino)methyl]-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66051820
(2R,4S)-1-(4-chlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 11869799
1-(2-amino-6-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66055590
1-(2-amino-4-methylphenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056980

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66053365) is 1-(4-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is ZWKXGVKFPZUVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c1-15(2)8-11-7-12(17)9-16(11)20(18,19)13-5-3-10(14)4-6-13/h3-6,11-12,17H,7-9H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-(4-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 318.83 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66053365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).