1-(3,4-dichlorophenyl)propane-1-sulfonyl chloride

C9H9Cl3O2S — CID 62084023

IUPAC1-(3,4-dichlorophenyl)propane-1-sulfonyl chloride
SMILESCCC(c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cl
InChIInChI=1S/C9H9Cl3O2S/c1-2-9(15(12,13)14)6-3-4-7(10)8(11)5-6/h3-5,9H,2H2,1H3
InChIKeyIZVBJNORFHEJET-UHFFFAOYSA-N
MW287.60 g/mol
LogP4.01
Rot. Bonds3

About 1-(3,4-dichlorophenyl)propane-1-sulfonyl chloride

1-(3,4-dichlorophenyl)propane-1-sulfonyl chloride (PubChem CID 62084023) has the molecular formula C9H9Cl3O2S and a molecular weight of 287.60 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)propane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)propane-1-sulfonyl chloride
PubChem CID62084023
Molecular FormulaC9H9Cl3O2S
Molecular Weight287.60 g/mol
Exact Mass285.94
IUPAC Name1-(3,4-dichlorophenyl)propane-1-sulfonyl chloride
SMILESCCC(c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cl
InChIInChI=1S/C9H9Cl3O2S/c1-2-9(15(12,13)14)6-3-4-7(10)8(11)5-6/h3-5,9H,2H2,1H3
InChIKeyIZVBJNORFHEJET-UHFFFAOYSA-N
XLogP4.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.60
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dichlorophenyl)propane-1-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dichlorophenyl)propane-1-sulfonamide
CID 62085630
1-(4-chlorophenyl)propane-1-sulfonyl chloride
CID 62085809
4-butan-2-yl-1,2-dichlorobenzene
CID 22095706
4-[(2R)-butan-2-yl]-1,2-dichlorobenzene
CID 118120399
1-(3,4-dichlorophenyl)-N-propan-2-ylpropan-1-amine
CID 43756202
1-(3,4-dichlorophenyl)-N-methylpropan-1-amine
CID 43486460
1,2-dichloro-4-(1-chloro-2-ethylbutyl)benzene
CID 63436363
(2R)-1-(3,4-dichlorophenyl)butane-1,2-diol
CID 140978275
(3,4-dichlorophenyl)-(3,4-diethylphenyl)methanamine
CID 115481980
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
1-(3,4-dichlorophenyl)-3-ethylpentane-1,2-diol
CID 103459672
2-[1-(3,4-dichlorophenyl)propylamino]acetamide
CID 43754703

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)propane-1-sulfonyl chloride?
The IUPAC name of 1-(3,4-dichlorophenyl)propane-1-sulfonyl chloride (CID 62084023) is 1-(3,4-dichlorophenyl)propane-1-sulfonyl chloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)propane-1-sulfonyl chloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)propane-1-sulfonyl chloride is CCC(c1ccc(Cl)c(Cl)c1)S(=O)(=O)Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)propane-1-sulfonyl chloride?
The InChIKey is IZVBJNORFHEJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl3O2S/c1-2-9(15(12,13)14)6-3-4-7(10)8(11)5-6/h3-5,9H,2H2,1H3.
What are the key properties of 1-(3,4-dichlorophenyl)propane-1-sulfonyl chloride?
1-(3,4-dichlorophenyl)propane-1-sulfonyl chloride has a molecular weight of 287.60 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)propane-1-sulfonyl chloride is sourced from PubChem (CID 62084023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).