1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride

C10H13Cl3N2O2S — CID 119971606

IUPAC1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C10H12Cl2N2O2S.ClH/c11-8-2-1-3-9(12)10(8)17(15,16)14-5-4-7(13)6-14;/h1-3,7H,4-6,13H2;1H
InChIKeyUGXJSUYIGLTCAS-UHFFFAOYSA-N
MW331.65 g/mol
LogP2.14
Rot. Bonds2

About 1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride

1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119971606) has the molecular formula C10H13Cl3N2O2S and a molecular weight of 331.65 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119971606
Molecular FormulaC10H13Cl3N2O2S
Molecular Weight331.65 g/mol
Exact Mass329.98
IUPAC Name1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCl.NC1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C10H12Cl2N2O2S.ClH/c11-8-2-1-3-9(12)10(8)17(15,16)14-5-4-7(13)6-14;/h1-3,7H,4-6,13H2;1H
InChIKeyUGXJSUYIGLTCAS-UHFFFAOYSA-N
XLogP2.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.65
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine
CID 94340426
(3R)-1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-3-amine
CID 115301799
(3S)-1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993401
1-(2-bromo-6-chlorophenyl)sulfonylpiperidin-3-amine
CID 120998816
(3R)-1-(3-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 94340393
1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605
(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
(3R)-1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962604
1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959822
1-(2,6-dichlorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90586568
1-(2,4,6-trifluorophenyl)sulfonylpyrrolidin-3-amine
CID 55029986
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 119971606) is 1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride is Cl.NC1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C1.
What is the InChIKey of 1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is UGXJSUYIGLTCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O2S.ClH/c11-8-2-1-3-9(12)10(8)17(15,16)14-5-4-7(13)6-14;/h1-3,7H,4-6,13H2;1H.
What are the key properties of 1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 331.65 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119971606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).