5-chloro-2-(2-cyclopropylethoxy)benzenesulfinic acid

C11H13ClO3S — CID 165453775

IUPAC5-chloro-2-(2-cyclopropylethoxy)benzenesulfinic acid
SMILESO=S(O)c1cc(Cl)ccc1OCCC1CC1
InChIInChI=1S/C11H13ClO3S/c12-9-3-4-10(11(7-9)16(13)14)15-6-5-8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,13,14)
InChIKeyTXGVUQWWCOJBRO-UHFFFAOYSA-N
MW260.74 g/mol
LogP3.10
Rot. Bonds5

About 5-chloro-2-(2-cyclopropylethoxy)benzenesulfinic acid

5-chloro-2-(2-cyclopropylethoxy)benzenesulfinic acid (PubChem CID 165453775) has the molecular formula C11H13ClO3S and a molecular weight of 260.74 g/mol. Its IUPAC name is 5-chloro-2-(2-cyclopropylethoxy)benzenesulfinic acid.

Molecular Properties

Compound Name5-chloro-2-(2-cyclopropylethoxy)benzenesulfinic acid
PubChem CID165453775
Molecular FormulaC11H13ClO3S
Molecular Weight260.74 g/mol
Exact Mass260.03
IUPAC Name5-chloro-2-(2-cyclopropylethoxy)benzenesulfinic acid
SMILESO=S(O)c1cc(Cl)ccc1OCCC1CC1
InChIInChI=1S/C11H13ClO3S/c12-9-3-4-10(11(7-9)16(13)14)15-6-5-8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,13,14)
InChIKeyTXGVUQWWCOJBRO-UHFFFAOYSA-N
XLogP3.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(2-methoxyethoxy)benzenesulfinic acid
CID 165449360
5-chloro-2-(2-cyclopropylethoxy)benzenesulfonyl fluoride
CID 165460566
1,4-dichloro-2-(2-cyclohexylethoxy)benzene
CID 114193047
5-chloro-2-(2-cyclohexylethoxy)benzohydrazide
CID 54795643
N-(4-amino-2-chlorophenyl)-5-chloro-2-(2-piperidin-4-ylethoxy)benzamide
CID 77106978
N-(4-aminocyclohexyl)-5-chloro-2-(2-cyclopropylethoxy)benzenesulfonamide
CID 126779567
5-chloro-4-(2-cyclopropylethoxy)-2-fluoro-N-sulfonylbenzamide
CID 122601326
4-[2-(4-chloro-2-cyanophenoxy)ethyl]piperidine-1-carboxylic acid
CID 123553778
4-[2-(2-benzyl-4-chlorophenoxy)ethyl]piperidine
CID 56830481
5-chloro-2-(2-cyclopropylethoxy)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)benzenesulfonamide
CID 154755410
3-[[5-chloro-2-(2-cyclopropylethoxy)phenyl]sulfonylamino]-2-hydroxy-N-methylpropanamide
CID 167930626
5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide
CID 114796482

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-cyclopropylethoxy)benzenesulfinic acid?
The IUPAC name of 5-chloro-2-(2-cyclopropylethoxy)benzenesulfinic acid (CID 165453775) is 5-chloro-2-(2-cyclopropylethoxy)benzenesulfinic acid.
What is the SMILES notation for 5-chloro-2-(2-cyclopropylethoxy)benzenesulfinic acid?
The canonical SMILES for 5-chloro-2-(2-cyclopropylethoxy)benzenesulfinic acid is O=S(O)c1cc(Cl)ccc1OCCC1CC1.
What is the InChIKey of 5-chloro-2-(2-cyclopropylethoxy)benzenesulfinic acid?
The InChIKey is TXGVUQWWCOJBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3S/c12-9-3-4-10(11(7-9)16(13)14)15-6-5-8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,13,14).
What are the key properties of 5-chloro-2-(2-cyclopropylethoxy)benzenesulfinic acid?
5-chloro-2-(2-cyclopropylethoxy)benzenesulfinic acid has a molecular weight of 260.74 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-cyclopropylethoxy)benzenesulfinic acid is sourced from PubChem (CID 165453775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).