ethane;1-(4-fluorophenyl)sulfonyl-4-phenylbenzene;4-[4-(4-fluorophenyl)sulfonylphenyl]benzenesulfonyl chloride

C38H31ClF2O6S3 — CID 143079369

IUPACethane;1-(4-fluorophenyl)sulfonyl-4-phenylbenzene;4-[4-(4-fluorophenyl)sulfonylphenyl]benzenesulfonyl chloride
SMILESCC.O=S(=O)(Cl)c1ccc(-c2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1.O=S(=O)(c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H12ClFO4S2.C18H13FO2S.C2H6/c19-26(23,24)18-9-3-14(4-10-18)13-1-7-16(8-2-13)25(21,22)17-11-5-15(20)6-12-17;19-16-8-12-18(13-9-16)22(20,21)17-10-6-15(7-11-17)14-4-2-1-3-5-14;1-2/h1-12H;1-13H;1-2H3
InChIKeyJCWNUGXNQBJLDN-UHFFFAOYSA-N
MW753.31 g/mol
LogP9.60
Rot. Bonds7

About ethane;1-(4-fluorophenyl)sulfonyl-4-phenylbenzene;4-[4-(4-fluorophenyl)sulfonylphenyl]benzenesulfonyl chloride

ethane;1-(4-fluorophenyl)sulfonyl-4-phenylbenzene;4-[4-(4-fluorophenyl)sulfonylphenyl]benzenesulfonyl chloride (PubChem CID 143079369) has the molecular formula C38H31ClF2O6S3 and a molecular weight of 753.31 g/mol. Its IUPAC name is ethane;1-(4-fluorophenyl)sulfonyl-4-phenylbenzene;4-[4-(4-fluorophenyl)sulfonylphenyl]benzenesulfonyl chloride.

Molecular Properties

Compound Nameethane;1-(4-fluorophenyl)sulfonyl-4-phenylbenzene;4-[4-(4-fluorophenyl)sulfonylphenyl]benzenesulfonyl chloride
PubChem CID143079369
Molecular FormulaC38H31ClF2O6S3
Molecular Weight753.31 g/mol
Exact Mass752.09
IUPAC Nameethane;1-(4-fluorophenyl)sulfonyl-4-phenylbenzene;4-[4-(4-fluorophenyl)sulfonylphenyl]benzenesulfonyl chloride
SMILESCC.O=S(=O)(Cl)c1ccc(-c2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1.O=S(=O)(c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H12ClFO4S2.C18H13FO2S.C2H6/c19-26(23,24)18-9-3-14(4-10-18)13-1-7-16(8-2-13)25(21,22)17-11-5-15(20)6-12-17;19-16-8-12-18(13-9-16)22(20,21)17-10-6-15(7-11-17)14-4-2-1-3-5-14;1-2/h1-12H;1-13H;1-2H3
InChIKeyJCWNUGXNQBJLDN-UHFFFAOYSA-N
XLogP9.60
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.31
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethane;1-(4-fluorophenyl)sulfonyl-4-phenylbenzene;4-[4-(4-fluorophenyl)sulfonylphenyl]benzenesulfonyl 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-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
lithium;1-fluoro-4-phenylbenzene;hydride
CID 173443965
1-(4-bromophenyl)-4-(4-fluorophenyl)sulfonylbenzene
CID 70397895
4-(4-aminophenyl)sulfonylaniline;4-(4-chlorosulfonylphenyl)benzenesulfonyl chloride
CID 88770219
5-(4-fluorophenyl)sulfonyl-4-methylsulfonyl-2-phenyl-1H-imidazole
CID 156743628
1-[2-[4-(benzenesulfonyl)phenyl]propan-2-yl]-4-fluorobenzene
CID 54306016
benzene;benzenesulfonyl chloride
CID 87647314
1-(4-fluorophenyl)sulfonyl-4-phenoxybenzene
CID 853558
3-(4-fluorophenyl)-5-methylbenzenesulfonyl chloride
CID 82307552
4-[4-(benzenesulfonyl)phenyl]pyridine
CID 119070513
2-[2-[4-(4-fluorophenyl)phenyl]sulfonylphenyl]acetic acid
CID 71602248

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-fluorophenyl)sulfonyl-4-phenylbenzene;4-[4-(4-fluorophenyl)sulfonylphenyl]benzenesulfonyl chloride?
The IUPAC name of ethane;1-(4-fluorophenyl)sulfonyl-4-phenylbenzene;4-[4-(4-fluorophenyl)sulfonylphenyl]benzenesulfonyl chloride (CID 143079369) is ethane;1-(4-fluorophenyl)sulfonyl-4-phenylbenzene;4-[4-(4-fluorophenyl)sulfonylphenyl]benzenesulfonyl chloride.
What is the SMILES notation for ethane;1-(4-fluorophenyl)sulfonyl-4-phenylbenzene;4-[4-(4-fluorophenyl)sulfonylphenyl]benzenesulfonyl chloride?
The canonical SMILES for ethane;1-(4-fluorophenyl)sulfonyl-4-phenylbenzene;4-[4-(4-fluorophenyl)sulfonylphenyl]benzenesulfonyl chloride is CC.O=S(=O)(Cl)c1ccc(-c2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cc1.O=S(=O)(c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of ethane;1-(4-fluorophenyl)sulfonyl-4-phenylbenzene;4-[4-(4-fluorophenyl)sulfonylphenyl]benzenesulfonyl chloride?
The InChIKey is JCWNUGXNQBJLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFO4S2.C18H13FO2S.C2H6/c19-26(23,24)18-9-3-14(4-10-18)13-1-7-16(8-2-13)25(21,22)17-11-5-15(20)6-12-17;19-16-8-12-18(13-9-16)22(20,21)17-10-6-15(7-11-17)14-4-2-1-3-5-14;1-2/h1-12H;1-13H;1-2H3.
What are the key properties of ethane;1-(4-fluorophenyl)sulfonyl-4-phenylbenzene;4-[4-(4-fluorophenyl)sulfonylphenyl]benzenesulfonyl chloride?
ethane;1-(4-fluorophenyl)sulfonyl-4-phenylbenzene;4-[4-(4-fluorophenyl)sulfonylphenyl]benzenesulfonyl chloride has a molecular weight of 753.31 g/mol, XLogP of 9.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-fluorophenyl)sulfonyl-4-phenylbenzene;4-[4-(4-fluorophenyl)sulfonylphenyl]benzenesulfonyl chloride is sourced from PubChem (CID 143079369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).