(1R,2R,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine

C15H14FNO2S — CID 124858604

IUPAC(1R,2R,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine
SMILESN[C@@H]1[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14FNO2S/c16-11-6-4-5-10(9-11)13-14(17)15(13)20(18,19)12-7-2-1-3-8-12/h1-9,13-15H,17H2/t13-,14-,15-/m1/s1
InChIKeyQBHRHUYTHPDMPB-RBSFLKMASA-N
MW291.35 g/mol
LogP2.09
Rot. Bonds3

About (1R,2R,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine

(1R,2R,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine (PubChem CID 124858604) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is (1R,2R,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name(1R,2R,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine
PubChem CID124858604
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Name(1R,2R,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine
SMILESN[C@@H]1[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14FNO2S/c16-11-6-4-5-10(9-11)13-14(17)15(13)20(18,19)12-7-2-1-3-8-12/h1-9,13-15H,17H2/t13-,14-,15-/m1/s1
InChIKeyQBHRHUYTHPDMPB-RBSFLKMASA-N
XLogP2.09
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,3S)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine
CID 124858605
(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropan-1-amine
CID 124744999
(1R,2R,3S)-2-(benzenesulfonyl)-3-(4-fluorophenyl)cyclopropan-1-amine
CID 124745711
2-(3-fluorophenyl)-3-methylsulfonylcyclopropan-1-amine
CID 102570496
2-(benzenesulfonyl)-3-(1,3-benzodioxol-5-yl)cyclopropan-1-amine
CID 102569502
2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid
CID 102570368
2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine
CID 102569327
(1S,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropane-1-carbothioamide
CID 99996969
2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carbothioamide
CID 102570935
2-(benzenesulfonyl)-3-(3-fluorophenyl)pyrrolidine
CID 174374754
(1S,2S,3S)-2-(benzenesulfonyl)-3-(4-fluorophenyl)cyclopropane-1-carbaldehyde
CID 124675771
(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-fluorophenyl)cyclopropane-1-carbaldehyde
CID 129413121

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine?
The IUPAC name of (1R,2R,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine (CID 124858604) is (1R,2R,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine.
What is the SMILES notation for (1R,2R,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine?
The canonical SMILES for (1R,2R,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine is N[C@@H]1[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of (1R,2R,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine?
The InChIKey is QBHRHUYTHPDMPB-RBSFLKMASA-N. The full InChI is InChI=1S/C15H14FNO2S/c16-11-6-4-5-10(9-11)13-14(17)15(13)20(18,19)12-7-2-1-3-8-12/h1-9,13-15H,17H2/t13-,14-,15-/m1/s1.
What are the key properties of (1R,2R,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine?
(1R,2R,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine has a molecular weight of 291.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine is sourced from PubChem (CID 124858604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).