1,3-bis[[4-(4-chlorophenyl)sulfonylphenyl]sulfanyl]benzene

C30H20Cl2O4S4 — CID 58607331

IUPAC1,3-bis[[4-(4-chlorophenyl)sulfonylphenyl]sulfanyl]benzene
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccc(Sc2cccc(Sc3ccc(S(=O)(=O)c4ccc(Cl)cc4)cc3)c2)cc1
InChIInChI=1S/C30H20Cl2O4S4/c31-21-4-12-27(13-5-21)39(33,34)29-16-8-23(9-17-29)37-25-2-1-3-26(20-25)38-24-10-18-30(19-11-24)40(35,36)28-14-6-22(32)7-15-28/h1-20H
InChIKeyIGLZEJMJXINLHU-UHFFFAOYSA-N
MW643.66 g/mol
LogP8.96
Rot. Bonds8

About 1,3-bis[[4-(4-chlorophenyl)sulfonylphenyl]sulfanyl]benzene

1,3-bis[[4-(4-chlorophenyl)sulfonylphenyl]sulfanyl]benzene (PubChem CID 58607331) has the molecular formula C30H20Cl2O4S4 and a molecular weight of 643.66 g/mol. Its IUPAC name is 1,3-bis[[4-(4-chlorophenyl)sulfonylphenyl]sulfanyl]benzene.

Molecular Properties

Compound Name1,3-bis[[4-(4-chlorophenyl)sulfonylphenyl]sulfanyl]benzene
PubChem CID58607331
Molecular FormulaC30H20Cl2O4S4
Molecular Weight643.66 g/mol
Exact Mass641.96
IUPAC Name1,3-bis[[4-(4-chlorophenyl)sulfonylphenyl]sulfanyl]benzene
SMILESO=S(=O)(c1ccc(Cl)cc1)c1ccc(Sc2cccc(Sc3ccc(S(=O)(=O)c4ccc(Cl)cc4)cc3)c2)cc1
InChIInChI=1S/C30H20Cl2O4S4/c31-21-4-12-27(13-5-21)39(33,34)29-16-8-23(9-17-29)37-25-2-1-3-26(20-25)38-24-10-18-30(19-11-24)40(35,36)28-14-6-22(32)7-15-28/h1-20H
InChIKeyIGLZEJMJXINLHU-UHFFFAOYSA-N
XLogP8.96
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.66
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 60875382
1,3-dichloro-2-(4-chlorophenyl)sulfonylbenzene
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CID 2506576
3-(4-chlorophenyl)sulfonylbenzaldehyde
CID 87544782
1,3-bis[(3-phenylsulfanylphenyl)sulfanyl]benzene
CID 21413042
potassium 4-(4-chlorophenyl)sulfonylphenolate
CID 23704030
4-(4-amino-3-chlorophenyl)sulfanyl-2-chloroaniline;3-(3-aminophenyl)sulfonylaniline
CID 68511209
1-chloro-3-(4-methylphenyl)sulfanylbenzene
CID 91027886
1-nitro-4-[4-[4-(4-nitrophenyl)sulfanylphenyl]sulfonylphenyl]sulfanylbenzene
CID 71326517
1,2-dimethyl-4-[4-(4-methylphenyl)sulfanylphenyl]sulfonylbenzene
CID 3090076
4-[4-(4-chlorophenyl)sulfonylphenyl]phenol
CID 10450227
4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 2211474

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[[4-(4-chlorophenyl)sulfonylphenyl]sulfanyl]benzene?
The IUPAC name of 1,3-bis[[4-(4-chlorophenyl)sulfonylphenyl]sulfanyl]benzene (CID 58607331) is 1,3-bis[[4-(4-chlorophenyl)sulfonylphenyl]sulfanyl]benzene.
What is the SMILES notation for 1,3-bis[[4-(4-chlorophenyl)sulfonylphenyl]sulfanyl]benzene?
The canonical SMILES for 1,3-bis[[4-(4-chlorophenyl)sulfonylphenyl]sulfanyl]benzene is O=S(=O)(c1ccc(Cl)cc1)c1ccc(Sc2cccc(Sc3ccc(S(=O)(=O)c4ccc(Cl)cc4)cc3)c2)cc1.
What is the InChIKey of 1,3-bis[[4-(4-chlorophenyl)sulfonylphenyl]sulfanyl]benzene?
The InChIKey is IGLZEJMJXINLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20Cl2O4S4/c31-21-4-12-27(13-5-21)39(33,34)29-16-8-23(9-17-29)37-25-2-1-3-26(20-25)38-24-10-18-30(19-11-24)40(35,36)28-14-6-22(32)7-15-28/h1-20H.
What are the key properties of 1,3-bis[[4-(4-chlorophenyl)sulfonylphenyl]sulfanyl]benzene?
1,3-bis[[4-(4-chlorophenyl)sulfonylphenyl]sulfanyl]benzene has a molecular weight of 643.66 g/mol, XLogP of 8.96, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[[4-(4-chlorophenyl)sulfonylphenyl]sulfanyl]benzene is sourced from PubChem (CID 58607331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).