2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropane-1-carbaldehyde

C18H17ClO3S — CID 102571010

IUPAC2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropane-1-carbaldehyde
SMILESCCc1ccc(C2C(C=O)C2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClO3S/c1-2-12-3-5-13(6-4-12)17-16(11-20)18(17)23(21,22)15-9-7-14(19)8-10-15/h3-11,16-18H,2H2,1H3
InChIKeyBTOUIDOWHDNYCC-UHFFFAOYSA-N
MW348.85 g/mol
LogP3.66
Rot. Bonds5

About 2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropane-1-carbaldehyde

2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropane-1-carbaldehyde (PubChem CID 102571010) has the molecular formula C18H17ClO3S and a molecular weight of 348.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropane-1-carbaldehyde
PubChem CID102571010
Molecular FormulaC18H17ClO3S
Molecular Weight348.85 g/mol
Exact Mass348.06
IUPAC Name2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropane-1-carbaldehyde
SMILESCCc1ccc(C2C(C=O)C2S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H17ClO3S/c1-2-12-3-5-13(6-4-12)17-16(11-20)18(17)23(21,22)15-9-7-14(19)8-10-15/h3-11,16-18H,2H2,1H3
InChIKeyBTOUIDOWHDNYCC-UHFFFAOYSA-N
XLogP3.66
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(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-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine
CID 102570777
(1S,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)-1-formylcyclopropane-1-carbonitrile
CID 124857263
(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-fluorophenyl)cyclopropane-1-carbaldehyde
CID 129413121
[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol
CID 124858614
2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbonitrile
CID 102570871
1-amino-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropane-1-carbonitrile
CID 102570695
(1S,2S,3S)-2-ethylsulfonyl-3-(4-fluorophenyl)cyclopropane-1-carbaldehyde
CID 124748534
[(1R,2R,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)-1-(methoxymethyl)cyclopropyl]methanamine
CID 124859345
[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine
CID 124859233

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropane-1-carbaldehyde (CID 102571010) is 2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropane-1-carbaldehyde is CCc1ccc(C2C(C=O)C2S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropane-1-carbaldehyde?
The InChIKey is BTOUIDOWHDNYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClO3S/c1-2-12-3-5-13(6-4-12)17-16(11-20)18(17)23(21,22)15-9-7-14(19)8-10-15/h3-11,16-18H,2H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropane-1-carbaldehyde?
2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropane-1-carbaldehyde has a molecular weight of 348.85 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 102571010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).