2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbaldehyde

C16H12BrClO3S — CID 102569752

IUPAC2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbaldehyde
SMILESO=CC1C(c2ccc(Br)cc2)C1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H12BrClO3S/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/h1-9,14-16H
InChIKeyUVMUYCQDYVHVMJ-UHFFFAOYSA-N
MW399.69 g/mol
LogP3.86
Rot. Bonds4

About 2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbaldehyde

2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbaldehyde (PubChem CID 102569752) has the molecular formula C16H12BrClO3S and a molecular weight of 399.69 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbaldehyde
PubChem CID102569752
Molecular FormulaC16H12BrClO3S
Molecular Weight399.69 g/mol
Exact Mass397.94
IUPAC Name2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbaldehyde
SMILESO=CC1C(c2ccc(Br)cc2)C1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H12BrClO3S/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/h1-9,14-16H
InChIKeyUVMUYCQDYVHVMJ-UHFFFAOYSA-N
XLogP3.86
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.69
LogP ≤ 53.86
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-chlorophenyl)sulfonyl-3-(4-ethylphenyl)cyclopropane-1-carbaldehyde
CID 102571010
(1S,2S,3R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbonitrile
CID 124745592
2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine
CID 102570777
(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
2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbonitrile
CID 102570871
[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methylphenyl)cyclopropyl]methanol
CID 124858614
(NE)-4-bromo-N-[(4-chlorophenyl)methylidene]benzenesulfonamide
CID 58360990
1-bromo-4-chlorobenzene
CID 7806
(1S,2S,3R)-2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonyl-1-(hydroxymethyl)cyclopropane-1-carbonitrile
CID 124859095

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbaldehyde?
The IUPAC name of 2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbaldehyde (CID 102569752) is 2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbaldehyde.
What is the SMILES notation for 2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbaldehyde?
The canonical SMILES for 2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbaldehyde is O=CC1C(c2ccc(Br)cc2)C1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbaldehyde?
The InChIKey is UVMUYCQDYVHVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrClO3S/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/h1-9,14-16H.
What are the key properties of 2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbaldehyde?
2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbaldehyde has a molecular weight of 399.69 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(4-chlorophenyl)sulfonylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 102569752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).