N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride

C11H14ClF3N2O2S — CID 120706957

IUPACN-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1.Cl
InChIInChI=1S/C11H13F3N2O2S.ClH/c1-15-7-4-5-16(6-7)19(17,18)9-3-2-8(12)10(13)11(9)14;/h2-3,7,15H,4-6H2,1H3;1H
InChIKeyAWKSYANAAPJZKJ-UHFFFAOYSA-N
MW330.76 g/mol
LogP1.51
Rot. Bonds3

About N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride

N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride (PubChem CID 120706957) has the molecular formula C11H14ClF3N2O2S and a molecular weight of 330.76 g/mol. Its IUPAC name is N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
PubChem CID120706957
Molecular FormulaC11H14ClF3N2O2S
Molecular Weight330.76 g/mol
Exact Mass330.04
IUPAC NameN-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
SMILESCNC1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1.Cl
InChIInChI=1S/C11H13F3N2O2S.ClH/c1-15-7-4-5-16(6-7)19(17,18)9-3-2-8(12)10(13)11(9)14;/h2-3,7,15H,4-6H2,1H3;1H
InChIKeyAWKSYANAAPJZKJ-UHFFFAOYSA-N
XLogP1.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.76
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-amine
CID 62534665
1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963060
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 120712583
2,2,2-trifluoro-N-[1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-yl]acetamide
CID 3425446
(3S)-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-ol
CID 79031400
(4aS,8aS)-2-(2,3,4-trifluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926596
1-(2,3,4-trifluorophenyl)sulfonylpiperidin-4-amine
CID 43556384
[4-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-yl]methanamine
CID 114960919
1-(4-chloro-2-nitrophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963067
1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119979918
(3S,4S)-4-hydroxy-1-(2,3,4-trifluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 135100519
1-(2,4-dibromophenyl)sulfonyl-N-methylpyrrolidin-3-amine
CID 115300248

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride (CID 120706957) is N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride is CNC1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)C1.Cl.
What is the InChIKey of N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
The InChIKey is AWKSYANAAPJZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S.ClH/c1-15-7-4-5-16(6-7)19(17,18)9-3-2-8(12)10(13)11(9)14;/h2-3,7,15H,4-6H2,1H3;1H.
What are the key properties of N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride?
N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride has a molecular weight of 330.76 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,3,4-trifluorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120706957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).