2-cyclopropylsulfonylbenzaldehyde

C10H10O3S — CID 84677789

IUPAC2-cyclopropylsulfonylbenzaldehyde
SMILESO=Cc1ccccc1S(=O)(=O)C1CC1
InChIInChI=1S/C10H10O3S/c11-7-8-3-1-2-4-10(8)14(12,13)9-5-6-9/h1-4,7,9H,5-6H2
InChIKeyKTLUOXMFUVJURK-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.44
Rot. Bonds3

About 2-cyclopropylsulfonylbenzaldehyde

2-cyclopropylsulfonylbenzaldehyde (PubChem CID 84677789) has the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol. Its IUPAC name is 2-cyclopropylsulfonylbenzaldehyde.

Molecular Properties

Compound Name2-cyclopropylsulfonylbenzaldehyde
PubChem CID84677789
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
Exact Mass210.04
IUPAC Name2-cyclopropylsulfonylbenzaldehyde
SMILESO=Cc1ccccc1S(=O)(=O)C1CC1
InChIInChI=1S/C10H10O3S/c11-7-8-3-1-2-4-10(8)14(12,13)9-5-6-9/h1-4,7,9H,5-6H2
InChIKeyKTLUOXMFUVJURK-UHFFFAOYSA-N
XLogP1.44
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.44
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

2-(benzenesulfonyl)benzaldehyde
CID 640916
2-(fluoromethylsulfonyl)benzaldehyde
CID 84721409
(2-cyclobutylsulfonylphenyl)methanol
CID 84690547
2-(oxan-4-ylsulfonyl)aniline
CID 63936905
1-(2-cyclopropylsulfonylphenyl)-N-methoxymethanamine
CID 117355562
3-bromo-4-cyclopropylsulfonylbenzaldehyde
CID 84715564
(4-methylcyclohexyl)sulfonylbenzene
CID 10537916
4-(2-bromophenyl)sulfonylpiperidine
CID 11023104
2-buta-2,3-dienylsulfonylbenzaldehyde
CID 71812915
2-amino-1-(2-cyclobutylsulfonylphenyl)ethanol
CID 117391624
2-(2-cyclobutylsulfonylphenyl)-2-hydroxyacetic acid
CID 117428997
1-(2-cyclobutylsulfonylphenyl)cyclohexan-1-amine
CID 117473650

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylsulfonylbenzaldehyde?
The IUPAC name of 2-cyclopropylsulfonylbenzaldehyde (CID 84677789) is 2-cyclopropylsulfonylbenzaldehyde.
What is the SMILES notation for 2-cyclopropylsulfonylbenzaldehyde?
The canonical SMILES for 2-cyclopropylsulfonylbenzaldehyde is O=Cc1ccccc1S(=O)(=O)C1CC1.
What is the InChIKey of 2-cyclopropylsulfonylbenzaldehyde?
The InChIKey is KTLUOXMFUVJURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3S/c11-7-8-3-1-2-4-10(8)14(12,13)9-5-6-9/h1-4,7,9H,5-6H2.
What are the key properties of 2-cyclopropylsulfonylbenzaldehyde?
2-cyclopropylsulfonylbenzaldehyde has a molecular weight of 210.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylsulfonylbenzaldehyde is sourced from PubChem (CID 84677789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).