1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride

C11H15Cl3N2O2S — CID 120585444

IUPAC1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1N.Cl
InChIInChI=1S/C11H14Cl2N2O2S.ClH/c1-7-5-15(6-11(7)14)18(16,17)10-3-8(12)2-9(13)4-10;/h2-4,7,11H,5-6,14H2,1H3;1H
InChIKeyWBQSANBXUMRWTL-UHFFFAOYSA-N
MW345.68 g/mol
LogP2.38
Rot. Bonds2

About 1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride

1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 120585444) has the molecular formula C11H15Cl3N2O2S and a molecular weight of 345.68 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
PubChem CID120585444
Molecular FormulaC11H15Cl3N2O2S
Molecular Weight345.68 g/mol
Exact Mass343.99
IUPAC Name1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1N.Cl
InChIInChI=1S/C11H14Cl2N2O2S.ClH/c1-7-5-15(6-11(7)14)18(16,17)10-3-8(12)2-9(13)4-10;/h2-4,7,11H,5-6,14H2,1H3;1H
InChIKeyWBQSANBXUMRWTL-UHFFFAOYSA-N
XLogP2.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.68
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-1-(3,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
CID 79411225
1-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine
CID 103576451
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-amine
CID 103576375
1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120713704
1-(2-chloro-5-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585521
1-(2,5-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585592
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-methylpyrrolidin-3-amine
CID 103576458
1-[(5-bromo-3-pyridinyl)sulfonyl]-4-methylpyrrolidin-3-amine
CID 103576433
4-methyl-1-(4-propylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120585465
5-(3,5-dichlorophenyl)sulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210665
4-(3-amino-4-methylpyrrolidin-1-yl)sulfonylbenzonitrile
CID 103576455
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448062

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride (CID 120585444) is 1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride is CC1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1N.Cl.
What is the InChIKey of 1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is WBQSANBXUMRWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2S.ClH/c1-7-5-15(6-11(7)14)18(16,17)10-3-8(12)2-9(13)4-10;/h2-4,7,11H,5-6,14H2,1H3;1H.
What are the key properties of 1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride?
1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 345.68 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120585444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).