1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene

C16H16Cl2O4S2 — CID 5128073

IUPAC1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
SMILESO=S(=O)(CCCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2O4S2/c17-13-3-7-15(8-4-13)23(19,20)11-1-2-12-24(21,22)16-9-5-14(18)6-10-16/h3-10H,1-2,11-12H2
InChIKeyVTNGYUPMYTWUDO-UHFFFAOYSA-N
MW407.34 g/mol
LogP4.02
Rot. Bonds7

About 1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene

1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene (PubChem CID 5128073) has the molecular formula C16H16Cl2O4S2 and a molecular weight of 407.34 g/mol. Its IUPAC name is 1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
PubChem CID5128073
Molecular FormulaC16H16Cl2O4S2
Molecular Weight407.34 g/mol
Exact Mass405.99
IUPAC Name1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
SMILESO=S(=O)(CCCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16Cl2O4S2/c17-13-3-7-15(8-4-13)23(19,20)11-1-2-12-24(21,22)16-9-5-14(18)6-10-16/h3-10H,1-2,11-12H2
InChIKeyVTNGYUPMYTWUDO-UHFFFAOYSA-N
XLogP4.02
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-(4-chlorobutylsulfonyl)benzene
CID 21272154
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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
N-[3-(4-chlorophenyl)sulfonylpropyl]-2-methylpropan-1-amine
CID 64639801
2-[4-[3-(4-chlorophenyl)sulfonylpropyl]phenyl]acetic acid
CID 15612083
6-(4-chlorophenyl)sulfonyl-N-methylhexan-3-amine
CID 106807694
1-methyl-4-[16-(4-methylphenyl)sulfonylhexadecylsulfonyl]benzene
CID 67740861
1-methyl-4-[19-(4-methylphenyl)sulfonylnonadecylsulfonyl]benzene
CID 67740848
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CID 106807693

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene?
The IUPAC name of 1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene (CID 5128073) is 1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene.
What is the SMILES notation for 1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene?
The canonical SMILES for 1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene is O=S(=O)(CCCCS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene?
The InChIKey is VTNGYUPMYTWUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O4S2/c17-13-3-7-15(8-4-13)23(19,20)11-1-2-12-24(21,22)16-9-5-14(18)6-10-16/h3-10H,1-2,11-12H2.
What are the key properties of 1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene?
1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene has a molecular weight of 407.34 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene is sourced from PubChem (CID 5128073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).