(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropan-1-amine

C15H13ClFNO2S — CID 124744999

IUPAC(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropan-1-amine
SMILESN[C@@H]1[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClFNO2S/c16-10-4-6-12(7-5-10)21(19,20)15-13(14(15)18)9-2-1-3-11(17)8-9/h1-8,13-15H,18H2/t13-,14+,15+/m0/s1
InChIKeyDAILXBGNKDRPOR-RRFJBIMHSA-N
MW325.79 g/mol
LogP2.75
Rot. Bonds3

About (1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropan-1-amine

(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropan-1-amine (PubChem CID 124744999) has the molecular formula C15H13ClFNO2S and a molecular weight of 325.79 g/mol. Its IUPAC name is (1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropan-1-amine
PubChem CID124744999
Molecular FormulaC15H13ClFNO2S
Molecular Weight325.79 g/mol
Exact Mass325.03
IUPAC Name(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropan-1-amine
SMILESN[C@@H]1[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClFNO2S/c16-10-4-6-12(7-5-10)21(19,20)15-13(14(15)18)9-2-1-3-11(17)8-9/h1-8,13-15H,18H2/t13-,14+,15+/m0/s1
InChIKeyDAILXBGNKDRPOR-RRFJBIMHSA-N
XLogP2.75
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 52.75
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,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine
CID 124858604
(1S,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropane-1-carbothioamide
CID 99996969
2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine
CID 102570777
2-(3-fluorophenyl)-3-methylsulfonylcyclopropan-1-amine
CID 102570496
(1R,2R,3S)-2-(benzenesulfonyl)-3-(4-fluorophenyl)cyclopropan-1-amine
CID 124745711
(1R,2R,3S)-1-amino-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropane-1-carbonitrile
CID 124748637
2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carbothioamide
CID 102570935
2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid
CID 102570368
(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)-1-(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 124746559
diethyl 2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropane-1,1-dicarboxylate
CID 102570328
2-(4-chlorophenyl)sulfonyl-1-(ethoxymethyl)-3-(3-fluorophenyl)cyclopropan-1-amine
CID 102568833

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropan-1-amine?
The IUPAC name of (1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropan-1-amine (CID 124744999) is (1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropan-1-amine.
What is the SMILES notation for (1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropan-1-amine?
The canonical SMILES for (1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropan-1-amine is N[C@@H]1[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropan-1-amine?
The InChIKey is DAILXBGNKDRPOR-RRFJBIMHSA-N. The full InChI is InChI=1S/C15H13ClFNO2S/c16-10-4-6-12(7-5-10)21(19,20)15-13(14(15)18)9-2-1-3-11(17)8-9/h1-8,13-15H,18H2/t13-,14+,15+/m0/s1.
What are the key properties of (1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropan-1-amine?
(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropan-1-amine has a molecular weight of 325.79 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropan-1-amine is sourced from PubChem (CID 124744999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).