1-(4-chlorophenyl)propane-1-sulfonyl chloride

C9H10Cl2O2S — CID 62085809

IUPAC1-(4-chlorophenyl)propane-1-sulfonyl chloride
SMILESCCC(c1ccc(Cl)cc1)S(=O)(=O)Cl
InChIInChI=1S/C9H10Cl2O2S/c1-2-9(14(11,12)13)7-3-5-8(10)6-4-7/h3-6,9H,2H2,1H3
InChIKeySFYJKHSPBYJOTG-UHFFFAOYSA-N
MW253.15 g/mol
LogP3.36
Rot. Bonds3

About 1-(4-chlorophenyl)propane-1-sulfonyl chloride

1-(4-chlorophenyl)propane-1-sulfonyl chloride (PubChem CID 62085809) has the molecular formula C9H10Cl2O2S and a molecular weight of 253.15 g/mol. Its IUPAC name is 1-(4-chlorophenyl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)propane-1-sulfonyl chloride
PubChem CID62085809
Molecular FormulaC9H10Cl2O2S
Molecular Weight253.15 g/mol
Exact Mass251.98
IUPAC Name1-(4-chlorophenyl)propane-1-sulfonyl chloride
SMILESCCC(c1ccc(Cl)cc1)S(=O)(=O)Cl
InChIInChI=1S/C9H10Cl2O2S/c1-2-9(14(11,12)13)7-3-5-8(10)6-4-7/h3-6,9H,2H2,1H3
InChIKeySFYJKHSPBYJOTG-UHFFFAOYSA-N
XLogP3.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.15
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(4-chlorophenyl)-2-hydroxyethanesulfonyl chloride
CID 115047465
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)propane-1-sulfonyl chloride?
The IUPAC name of 1-(4-chlorophenyl)propane-1-sulfonyl chloride (CID 62085809) is 1-(4-chlorophenyl)propane-1-sulfonyl chloride.
What is the SMILES notation for 1-(4-chlorophenyl)propane-1-sulfonyl chloride?
The canonical SMILES for 1-(4-chlorophenyl)propane-1-sulfonyl chloride is CCC(c1ccc(Cl)cc1)S(=O)(=O)Cl.
What is the InChIKey of 1-(4-chlorophenyl)propane-1-sulfonyl chloride?
The InChIKey is SFYJKHSPBYJOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O2S/c1-2-9(14(11,12)13)7-3-5-8(10)6-4-7/h3-6,9H,2H2,1H3.
What are the key properties of 1-(4-chlorophenyl)propane-1-sulfonyl chloride?
1-(4-chlorophenyl)propane-1-sulfonyl chloride has a molecular weight of 253.15 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)propane-1-sulfonyl chloride is sourced from PubChem (CID 62085809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).