[1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine

C16H23ClN2O4S — CID 120711707

IUPAC[1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1S(=O)(=O)c1cc(Cl)ccc1OCC1CCOC1
InChIInChI=1S/C16H23ClN2O4S/c17-13-3-4-15(23-11-12-5-7-22-10-12)16(8-13)24(20,21)19-6-1-2-14(19)9-18/h3-4,8,12,14H,1-2,5-7,9-11,18H2
InChIKeyPHIARHDSYFOYOX-UHFFFAOYSA-N
MW374.89 g/mol
LogP1.87
Rot. Bonds6

About [1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine

[1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine (PubChem CID 120711707) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is [1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine
PubChem CID120711707
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC Name[1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1S(=O)(=O)c1cc(Cl)ccc1OCC1CCOC1
InChIInChI=1S/C16H23ClN2O4S/c17-13-3-4-15(23-11-12-5-7-22-10-12)16(8-13)24(20,21)19-6-1-2-14(19)9-18/h3-4,8,12,14H,1-2,5-7,9-11,18H2
InChIKeyPHIARHDSYFOYOX-UHFFFAOYSA-N
XLogP1.87
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[5-chloro-2-(cyclobutylmethoxy)phenyl]sulfonylpiperidin-2-yl]methanamine
CID 120708033
[1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120708475
N-(3-aminopropyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride
CID 120706793
N-(2-amino-2-cyclopropylethyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride
CID 120713306
[4-chloro-2-(oxolan-3-ylmethoxy)phenyl]methanamine
CID 63081811
[1-[5-fluoro-2-(2-methoxyethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine
CID 120711687
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115752536
[(2R)-1-(5-bromo-2-chlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124702661
1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]ethanol
CID 55030981
5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide
CID 62104424
[(2S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 124573759
[1-(2,5-dichlorophenyl)sulfonyl-4-ethylpiperidin-2-yl]methanamine
CID 103352807

Frequently Asked Questions

What is the IUPAC name of [1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine?
The IUPAC name of [1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine (CID 120711707) is [1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine is NCC1CCCN1S(=O)(=O)c1cc(Cl)ccc1OCC1CCOC1.
What is the InChIKey of [1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine?
The InChIKey is PHIARHDSYFOYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c17-13-3-4-15(23-11-12-5-7-22-10-12)16(8-13)24(20,21)19-6-1-2-14(19)9-18/h3-4,8,12,14H,1-2,5-7,9-11,18H2.
What are the key properties of [1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine?
[1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine has a molecular weight of 374.89 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-chloro-2-(oxolan-3-ylmethoxy)phenyl]sulfonylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 120711707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).