1-chloro-4-(4-chlorobutylsulfonyl)benzene

C10H12Cl2O2S — CID 21272154

IUPAC1-chloro-4-(4-chlorobutylsulfonyl)benzene
SMILESO=S(=O)(CCCCCl)c1ccc(Cl)cc1
InChIInChI=1S/C10H12Cl2O2S/c11-7-1-2-8-15(13,14)10-5-3-9(12)4-6-10/h3-6H,1-2,7-8H2
InChIKeyJOSMNDMSRHCFJR-UHFFFAOYSA-N
MW267.18 g/mol
LogP3.13
Rot. Bonds5

About 1-chloro-4-(4-chlorobutylsulfonyl)benzene

1-chloro-4-(4-chlorobutylsulfonyl)benzene (PubChem CID 21272154) has the molecular formula C10H12Cl2O2S and a molecular weight of 267.18 g/mol. Its IUPAC name is 1-chloro-4-(4-chlorobutylsulfonyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(4-chlorobutylsulfonyl)benzene
PubChem CID21272154
Molecular FormulaC10H12Cl2O2S
Molecular Weight267.18 g/mol
Exact Mass265.99
IUPAC Name1-chloro-4-(4-chlorobutylsulfonyl)benzene
SMILESO=S(=O)(CCCCCl)c1ccc(Cl)cc1
InChIInChI=1S/C10H12Cl2O2S/c11-7-1-2-8-15(13,14)10-5-3-9(12)4-6-10/h3-6H,1-2,7-8H2
InChIKeyJOSMNDMSRHCFJR-UHFFFAOYSA-N
XLogP3.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
CID 5128073
5-(4-chlorophenyl)sulfonylpentan-1-amine
CID 22617016
1-(3-bromopropylsulfonyl)-4-chlorobenzene
CID 10827889
1-(2-bromoethylsulfonyl)-4-chlorobenzene
CID 18526465
1-chloro-4-[2-[2-(4-chlorophenyl)sulfonylethylperoxy]ethylsulfonyl]benzene
CID 71390594
5-(4-chlorophenyl)sulfonylpentan-2-ol
CID 106584912
1-(3-chloropropylsulfonyl)-4-propylbenzene
CID 93189173
N-[3-(4-chlorophenyl)sulfonylpropyl]-2-methylpropan-1-amine
CID 64639801
5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene
CID 62229484
2-[4-[3-(4-chlorophenyl)sulfonylpropyl]phenyl]acetic acid
CID 15612083
1-(3-chloropropylsulfonyl)-4-(2-methylpropyl)benzene
CID 93189797
6-(4-chlorophenyl)sulfonyl-N-methylhexan-3-amine
CID 106807694

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-chlorobutylsulfonyl)benzene?
The IUPAC name of 1-chloro-4-(4-chlorobutylsulfonyl)benzene (CID 21272154) is 1-chloro-4-(4-chlorobutylsulfonyl)benzene.
What is the SMILES notation for 1-chloro-4-(4-chlorobutylsulfonyl)benzene?
The canonical SMILES for 1-chloro-4-(4-chlorobutylsulfonyl)benzene is O=S(=O)(CCCCCl)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(4-chlorobutylsulfonyl)benzene?
The InChIKey is JOSMNDMSRHCFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2S/c11-7-1-2-8-15(13,14)10-5-3-9(12)4-6-10/h3-6H,1-2,7-8H2.
What are the key properties of 1-chloro-4-(4-chlorobutylsulfonyl)benzene?
1-chloro-4-(4-chlorobutylsulfonyl)benzene has a molecular weight of 267.18 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(4-chlorobutylsulfonyl)benzene is sourced from PubChem (CID 21272154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).