1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride

C11H16Cl2N2O2S — CID 119971677

IUPAC1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCC(N)C1.Cl
InChIInChI=1S/C11H15ClN2O2S.ClH/c1-8-2-3-9(12)6-11(8)17(15,16)14-5-4-10(13)7-14;/h2-3,6,10H,4-5,7,13H2,1H3;1H
InChIKeyNPAPHKBZMQCNAQ-UHFFFAOYSA-N
MW311.23 g/mol
LogP1.79
Rot. Bonds2

About 1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride

1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 119971677) has the molecular formula C11H16Cl2N2O2S and a molecular weight of 311.23 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID119971677
Molecular FormulaC11H16Cl2N2O2S
Molecular Weight311.23 g/mol
Exact Mass310.03
IUPAC Name1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCc1ccc(Cl)cc1S(=O)(=O)N1CCC(N)C1.Cl
InChIInChI=1S/C11H15ClN2O2S.ClH/c1-8-2-3-9(12)6-11(8)17(15,16)14-5-4-10(13)7-14;/h2-3,6,10H,4-5,7,13H2,1H3;1H
InChIKeyNPAPHKBZMQCNAQ-UHFFFAOYSA-N
XLogP1.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 120894023
1-(5-chloro-2-methylphenyl)sulfonyl-3-methylpiperidin-4-amine
CID 79868262
(3S)-1-(5-bromo-2-methylphenyl)sulfonylpyrrolidin-3-amine
CID 94340271
(3R)-1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291641
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918645
1-(2-methyl-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-amine
CID 119971740
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030456
(3R)-1-(2-chloro-4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962659
1-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63597276
1-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine
CID 103576451
1-(5-chloro-2-methylphenyl)sulfonyl-2-methylpiperidin-4-amine
CID 115312528
(3R)-1-(4,5-dimethoxy-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962598

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 119971677) is 1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride is Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(N)C1.Cl.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is NPAPHKBZMQCNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S.ClH/c1-8-2-3-9(12)6-11(8)17(15,16)14-5-4-10(13)7-14;/h2-3,6,10H,4-5,7,13H2,1H3;1H.
What are the key properties of 1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 311.23 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119971677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).