1-(2-chloro-5-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride

C11H15Cl2FN2O2S — CID 120585521

IUPAC1-(2-chloro-5-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2cc(F)ccc2Cl)CC1N.Cl
InChIInChI=1S/C11H14ClFN2O2S.ClH/c1-7-5-15(6-10(7)14)18(16,17)11-4-8(13)2-3-9(11)12;/h2-4,7,10H,5-6,14H2,1H3;1H
InChIKeyPPITYVGUOHRHEJ-UHFFFAOYSA-N
MW329.22 g/mol
LogP1.87
Rot. Bonds2

About 1-(2-chloro-5-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride

1-(2-chloro-5-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 120585521) has the molecular formula C11H15Cl2FN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
PubChem CID120585521
Molecular FormulaC11H15Cl2FN2O2S
Molecular Weight329.22 g/mol
Exact Mass328.02
IUPAC Name1-(2-chloro-5-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2cc(F)ccc2Cl)CC1N.Cl
InChIInChI=1S/C11H14ClFN2O2S.ClH/c1-7-5-15(6-10(7)14)18(16,17)11-4-8(13)2-3-9(11)12;/h2-4,7,10H,5-6,14H2,1H3;1H
InChIKeyPPITYVGUOHRHEJ-UHFFFAOYSA-N
XLogP1.87
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 4104699
3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 4877012
2-chloro-4-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 47083591
4-chloro-N-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-1-benzenesulfonamide
CID 91922806
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-fluorobenzenesulfonamide
CID 91922808
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-2-chloro-4-fluorobenzenesulfonamide
CID 45891509
(3R,4S)-1-(3-chlorophenyl)sulfonyl-4-cyclopropylpyrrolidin-3-amine
CID 72910682
2-chloro-3-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 84597454
5-Chloro-N-[(3R)-1-cyano-3-pyrrolidinyl]-2-fluorobenzenesulfonamide
CID 44465193
2,5-dichloro-N-[(3R,5S)-1-cyano-5-methyl-3-pyrrolidinyl]-4-fluorobenzenesulfonamide
CID 57918787
N-(3-Amino-1-methylpropyl)-2-chloro-4-fluorobenzenesulfonamide
CID 69442861
2,5-dichloro-N-(1-cyano-5-methylpyrrolidin-3-yl)-4-fluorobenzenesulfonamide
CID 76641250

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride (CID 120585521) is 1-(2-chloro-5-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride is CC1CN(S(=O)(=O)c2cc(F)ccc2Cl)CC1N.Cl.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is PPITYVGUOHRHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2S.ClH/c1-7-5-15(6-10(7)14)18(16,17)11-4-8(13)2-3-9(11)12;/h2-4,7,10H,5-6,14H2,1H3;1H.
What are the key properties of 1-(2-chloro-5-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride?
1-(2-chloro-5-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 329.22 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120585521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).