2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine

C15H13Cl2NO2S — CID 102570777

IUPAC2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine
SMILESNC1C(c2ccc(Cl)cc2)C1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NO2S/c16-10-3-1-9(2-4-10)13-14(18)15(13)21(19,20)12-7-5-11(17)6-8-12/h1-8,13-15H,18H2
InChIKeyLCTJGKALHGAFFD-UHFFFAOYSA-N
MW342.25 g/mol
LogP3.26
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine

2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine (PubChem CID 102570777) has the molecular formula C15H13Cl2NO2S and a molecular weight of 342.25 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine
PubChem CID102570777
Molecular FormulaC15H13Cl2NO2S
Molecular Weight342.25 g/mol
Exact Mass341.00
IUPAC Name2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine
SMILESNC1C(c2ccc(Cl)cc2)C1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NO2S/c16-10-3-1-9(2-4-10)13-14(18)15(13)21(19,20)12-7-5-11(17)6-8-12/h1-8,13-15H,18H2
InChIKeyLCTJGKALHGAFFD-UHFFFAOYSA-N
XLogP3.26
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(3-fluorophenyl)cyclopropan-1-amine
CID 124744999
2-(4-chlorophenyl)-3-ethylsulfonylcyclopropan-1-amine
CID 102570405
(1R,2R,3S)-2-(4-chlorophenyl)-3-ethylsulfonylcyclopropan-1-amine
CID 124746241
2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbonitrile
CID 102570871
(1R,2R,3S)-2-(benzenesulfonyl)-3-(4-fluorophenyl)cyclopropan-1-amine
CID 124745711
(1S,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropane-1-carbaldehyde
CID 124858670
(1S,2S,3S)-2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carbaldehyde
CID 124745935
2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbaldehyde
CID 102569752
2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine
CID 102569327
[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine
CID 124859233
2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropane-1-carbaldehyde
CID 102571010
(1S,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropane-1-carbothioamide
CID 124858872

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine (CID 102570777) is 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine is NC1C(c2ccc(Cl)cc2)C1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine?
The InChIKey is LCTJGKALHGAFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2S/c16-10-3-1-9(2-4-10)13-14(18)15(13)21(19,20)12-7-5-11(17)6-8-12/h1-8,13-15H,18H2.
What are the key properties of 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine?
2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine has a molecular weight of 342.25 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine is sourced from PubChem (CID 102570777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).