2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbonitrile

C16H11Cl2NO2S — CID 102570871

IUPAC2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbonitrile
SMILESN#CC1C(c2ccc(Cl)cc2)C1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H11Cl2NO2S/c17-11-3-1-10(2-4-11)15-14(9-19)16(15)22(20,21)13-7-5-12(18)6-8-13/h1-8,14-16H
InChIKeyYCPCKJAXKFKTQH-UHFFFAOYSA-N
MW352.24 g/mol
LogP4.07
Rot. Bonds3

About 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbonitrile

2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbonitrile (PubChem CID 102570871) has the molecular formula C16H11Cl2NO2S and a molecular weight of 352.24 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbonitrile
PubChem CID102570871
Molecular FormulaC16H11Cl2NO2S
Molecular Weight352.24 g/mol
Exact Mass350.99
IUPAC Name2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbonitrile
SMILESN#CC1C(c2ccc(Cl)cc2)C1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H11Cl2NO2S/c17-11-3-1-10(2-4-11)15-14(9-19)16(15)22(20,21)13-7-5-12(18)6-8-13/h1-8,14-16H
InChIKeyYCPCKJAXKFKTQH-UHFFFAOYSA-N
XLogP4.07
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S,3R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbonitrile
CID 124745592
(1S,2S,3R)-2-(1,3-benzodioxol-5-yl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbonitrile
CID 124747114
2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine
CID 102570777
2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbaldehyde
CID 102569752
(1S,2S,3S)-2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carbaldehyde
CID 124745935
(1S,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropane-1-carbaldehyde
CID 124858670
(1S,2R,3S)-2-(benzenesulfonyl)-3-(1,3-benzodioxol-5-yl)cyclopropane-1-carbonitrile
CID 124747486
2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropane-1-carbaldehyde
CID 102571010
[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol
CID 124858614
(1S,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropane-1-carbothioamide
CID 124858872
[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine
CID 124859233
(1S,2R,3S,4R)-3-(4-chlorophenyl)bicyclo[2.2.2]oct-5-ene-2-carbonitrile
CID 10705418

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbonitrile?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbonitrile (CID 102570871) is 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbonitrile is N#CC1C(c2ccc(Cl)cc2)C1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbonitrile?
The InChIKey is YCPCKJAXKFKTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2S/c17-11-3-1-10(2-4-11)15-14(9-19)16(15)22(20,21)13-7-5-12(18)6-8-13/h1-8,14-16H.
What are the key properties of 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbonitrile?
2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbonitrile has a molecular weight of 352.24 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbonitrile is sourced from PubChem (CID 102570871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).