2-(3-chlorophenoxy)propane-1-sulfonyl chloride

C9H10Cl2O3S — CID 112639789

IUPAC2-(3-chlorophenoxy)propane-1-sulfonyl chloride
SMILESCC(CS(=O)(=O)Cl)Oc1cccc(Cl)c1
InChIInChI=1S/C9H10Cl2O3S/c1-7(6-15(11,12)13)14-9-4-2-3-8(10)5-9/h2-5,7H,6H2,1H3
InChIKeyWIVXDYCIPPOATC-UHFFFAOYSA-N
MW269.15 g/mol
LogP2.68
Rot. Bonds4

About 2-(3-chlorophenoxy)propane-1-sulfonyl chloride

2-(3-chlorophenoxy)propane-1-sulfonyl chloride (PubChem CID 112639789) has the molecular formula C9H10Cl2O3S and a molecular weight of 269.15 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(3-chlorophenoxy)propane-1-sulfonyl chloride
PubChem CID112639789
Molecular FormulaC9H10Cl2O3S
Molecular Weight269.15 g/mol
Exact Mass267.97
IUPAC Name2-(3-chlorophenoxy)propane-1-sulfonyl chloride
SMILESCC(CS(=O)(=O)Cl)Oc1cccc(Cl)c1
InChIInChI=1S/C9H10Cl2O3S/c1-7(6-15(11,12)13)14-9-4-2-3-8(10)5-9/h2-5,7H,6H2,1H3
InChIKeyWIVXDYCIPPOATC-UHFFFAOYSA-N
XLogP2.68
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64765471
(2R)-2-(3-chlorophenoxy)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylpropanamide
CID 96533228
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
3-(3-chlorophenoxy)butan-1-amine;propanoic acid
CID 142907984
2-(3-chlorophenoxy)-N-propylpropan-1-amine
CID 62227786
N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide
CID 119807128
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
2-[2-(3-chlorophenoxy)propoxyimino]propanoic acid
CID 54022537
3-amino-N-[2-(3-chlorophenoxy)propyl]propanamide;hydrochloride
CID 119336975
N-[2-(3-chlorophenoxy)propyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119807127
3-[(3-chlorophenyl)methoxy]-2-methylpropane-1-sulfonyl chloride
CID 65130631

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)propane-1-sulfonyl chloride?
The IUPAC name of 2-(3-chlorophenoxy)propane-1-sulfonyl chloride (CID 112639789) is 2-(3-chlorophenoxy)propane-1-sulfonyl chloride.
What is the SMILES notation for 2-(3-chlorophenoxy)propane-1-sulfonyl chloride?
The canonical SMILES for 2-(3-chlorophenoxy)propane-1-sulfonyl chloride is CC(CS(=O)(=O)Cl)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)propane-1-sulfonyl chloride?
The InChIKey is WIVXDYCIPPOATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O3S/c1-7(6-15(11,12)13)14-9-4-2-3-8(10)5-9/h2-5,7H,6H2,1H3.
What are the key properties of 2-(3-chlorophenoxy)propane-1-sulfonyl chloride?
2-(3-chlorophenoxy)propane-1-sulfonyl chloride has a molecular weight of 269.15 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)propane-1-sulfonyl chloride is sourced from PubChem (CID 112639789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).