1-(2,4-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride

C11H15ClF2N2O2S — CID 120585524

IUPAC1-(2,4-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2ccc(F)cc2F)CC1N.Cl
InChIInChI=1S/C11H14F2N2O2S.ClH/c1-7-5-15(6-10(7)14)18(16,17)11-3-2-8(12)4-9(11)13;/h2-4,7,10H,5-6,14H2,1H3;1H
InChIKeyWYHXMXNYXFJKCQ-UHFFFAOYSA-N
MW312.77 g/mol
LogP1.35
Rot. Bonds2

About 1-(2,4-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride

1-(2,4-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 120585524) has the molecular formula C11H15ClF2N2O2S and a molecular weight of 312.77 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
PubChem CID120585524
Molecular FormulaC11H15ClF2N2O2S
Molecular Weight312.77 g/mol
Exact Mass312.05
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2ccc(F)cc2F)CC1N.Cl
InChIInChI=1S/C11H14F2N2O2S.ClH/c1-7-5-15(6-10(7)14)18(16,17)11-3-2-8(12)4-9(11)13;/h2-4,7,10H,5-6,14H2,1H3;1H
InChIKeyWYHXMXNYXFJKCQ-UHFFFAOYSA-N
XLogP1.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585592
1-(2-chloro-5-fluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride
CID 120585521
(3S,5S)-1-(2,4-difluorophenyl)sulfonyl-3,5-dimethylpiperidine
CID 2409021
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-4-methylpyrrolidin-3-amine
CID 107328373
1-(5-chloro-2-methylphenyl)sulfonyl-4-methylpyrrolidin-3-amine
CID 103576451
1-(2,4-difluorophenyl)sulfonyl-N-ethyl-3-methylpiperidin-4-amine
CID 114498922
1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119979918
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
[1-(2,4-difluorophenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119984795
[1-(2,4-difluorophenyl)sulfonyl-3-methylpyrrolidin-2-yl]methanamine
CID 102783740
4-(3-amino-4-methylpyrrolidin-1-yl)sulfonyl-3-chlorobenzonitrile
CID 103576327
(3S,4S)-1-(2-fluoro-4-methylphenyl)sulfonyl-4-methylpyrrolidine-3-carboxamide
CID 128977313

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride (CID 120585524) is 1-(2,4-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride is CC1CN(S(=O)(=O)c2ccc(F)cc2F)CC1N.Cl.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is WYHXMXNYXFJKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2S.ClH/c1-7-5-15(6-10(7)14)18(16,17)11-3-2-8(12)4-9(11)13;/h2-4,7,10H,5-6,14H2,1H3;1H.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride?
1-(2,4-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 312.77 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-4-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120585524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).