6-[4-(2,4-dichlorophenyl)phenyl]sulfonylhexan-1-ol;5-[4-(2,4-difluorophenyl)-3-methylphenyl]sulfonylpentan-1-ol;5-[4-(2,4-difluorophenyl)phenyl]sulfonylpentan-1-ol;5-[4-(4-methylphenyl)phenyl]sulfonylpentan-1-ol;6-[4-[2-(trifluoromethyl)phenyl]phenyl]sulfonylhexan-1-ol

C90H101Cl2F7O15S5 — CID 160869225

IUPAC6-[4-(2,4-dichlorophenyl)phenyl]sulfonylhexan-1-ol;5-[4-(2,4-difluorophenyl)-3-methylphenyl]sulfonylpentan-1-ol;5-[4-(2,4-difluorophenyl)phenyl]sulfonylpentan-1-ol;5-[4-(4-methylphenyl)phenyl]sulfonylpentan-1-ol;6-[4-[2-(trifluoromethyl)phenyl]phenyl]sulfonylhexan-1-ol
SMILESCc1cc(S(=O)(=O)CCCCCO)ccc1-c1ccc(F)cc1F.Cc1ccc(-c2ccc(S(=O)(=O)CCCCCO)cc2)cc1.O=S(=O)(CCCCCCO)c1ccc(-c2ccc(Cl)cc2Cl)cc1.O=S(=O)(CCCCCCO)c1ccc(-c2ccccc2C(F)(F)F)cc1.O=S(=O)(CCCCCO)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H21F3O3S.C18H20Cl2O3S.C18H20F2O3S.C18H22O3S.C17H18F2O3S/c20-19(21,22)18-8-4-3-7-17(18)15-9-11-16(12-10-15)26(24,25)14-6-2-1-5-13-23;19-15-7-10-17(18(20)13-15)14-5-8-16(9-6-14)24(22,23)12-4-2-1-3-11-21;1-13-11-15(24(22,23)10-4-2-3-9-21)6-8-16(13)17-7-5-14(19)12-18(17)20;1-15-5-7-16(8-6-15)17-9-11-18(12-10-17)22(20,21)14-4-2-3-13-19;18-14-6-9-16(17(19)12-14)13-4-7-15(8-5-13)23(21,22)11-3-1-2-10-20/h3-4,7-12,23H,1-2,5-6,13-14H2;5-10,13,21H,1-4,11-12H2;5-8,11-12,21H,2-4,9-10H2,1H3;5-12,19H,2-4,13-14H2,1H3;4-9,12,20H,1-3,10-11H2
InChIKeySLNQKIMQVJUWSO-UHFFFAOYSA-N
MW1787.01 g/mol
LogP20.73
Rot. Bonds37

About 6-[4-(2,4-dichlorophenyl)phenyl]sulfonylhexan-1-ol;5-[4-(2,4-difluorophenyl)-3-methylphenyl]sulfonylpentan-1-ol;5-[4-(2,4-difluorophenyl)phenyl]sulfonylpentan-1-ol;5-[4-(4-methylphenyl)phenyl]sulfonylpentan-1-ol;6-[4-[2-(trifluoromethyl)phenyl]phenyl]sulfonylhexan-1-ol

6-[4-(2,4-dichlorophenyl)phenyl]sulfonylhexan-1-ol;5-[4-(2,4-difluorophenyl)-3-methylphenyl]sulfonylpentan-1-ol;5-[4-(2,4-difluorophenyl)phenyl]sulfonylpentan-1-ol;5-[4-(4-methylphenyl)phenyl]sulfonylpentan-1-ol;6-[4-[2-(trifluoromethyl)phenyl]phenyl]sulfonylhexan-1-ol (PubChem CID 160869225) has the molecular formula C90H101Cl2F7O15S5 and a molecular weight of 1787.01 g/mol. Its IUPAC name is 6-[4-(2,4-dichlorophenyl)phenyl]sulfonylhexan-1-ol;5-[4-(2,4-difluorophenyl)-3-methylphenyl]sulfonylpentan-1-ol;5-[4-(2,4-difluorophenyl)phenyl]sulfonylpentan-1-ol;5-[4-(4-methylphenyl)phenyl]sulfonylpentan-1-ol;6-[4-[2-(trifluoromethyl)phenyl]phenyl]sulfonylhexan-1-ol.

Molecular Properties

Compound Name6-[4-(2,4-dichlorophenyl)phenyl]sulfonylhexan-1-ol;5-[4-(2,4-difluorophenyl)-3-methylphenyl]sulfonylpentan-1-ol;5-[4-(2,4-difluorophenyl)phenyl]sulfonylpentan-1-ol;5-[4-(4-methylphenyl)phenyl]sulfonylpentan-1-ol;6-[4-[2-(trifluoromethyl)phenyl]phenyl]sulfonylhexan-1-ol
PubChem CID160869225
Molecular FormulaC90H101Cl2F7O15S5
Molecular Weight1787.01 g/mol
Exact Mass1784.50
IUPAC Name6-[4-(2,4-dichlorophenyl)phenyl]sulfonylhexan-1-ol;5-[4-(2,4-difluorophenyl)-3-methylphenyl]sulfonylpentan-1-ol;5-[4-(2,4-difluorophenyl)phenyl]sulfonylpentan-1-ol;5-[4-(4-methylphenyl)phenyl]sulfonylpentan-1-ol;6-[4-[2-(trifluoromethyl)phenyl]phenyl]sulfonylhexan-1-ol
SMILESCc1cc(S(=O)(=O)CCCCCO)ccc1-c1ccc(F)cc1F.Cc1ccc(-c2ccc(S(=O)(=O)CCCCCO)cc2)cc1.O=S(=O)(CCCCCCO)c1ccc(-c2ccc(Cl)cc2Cl)cc1.O=S(=O)(CCCCCCO)c1ccc(-c2ccccc2C(F)(F)F)cc1.O=S(=O)(CCCCCO)c1ccc(-c2ccc(F)cc2F)cc1
InChIInChI=1S/C19H21F3O3S.C18H20Cl2O3S.C18H20F2O3S.C18H22O3S.C17H18F2O3S/c20-19(21,22)18-8-4-3-7-17(18)15-9-11-16(12-10-15)26(24,25)14-6-2-1-5-13-23;19-15-7-10-17(18(20)13-15)14-5-8-16(9-6-14)24(22,23)12-4-2-1-3-11-21;1-13-11-15(24(22,23)10-4-2-3-9-21)6-8-16(13)17-7-5-14(19)12-18(17)20;1-15-5-7-16(8-6-15)17-9-11-18(12-10-17)22(20,21)14-4-2-3-13-19;18-14-6-9-16(17(19)12-14)13-4-7-15(8-5-13)23(21,22)11-3-1-2-10-20/h3-4,7-12,23H,1-2,5-6,13-14H2;5-10,13,21H,1-4,11-12H2;5-8,11-12,21H,2-4,9-10H2,1H3;5-12,19H,2-4,13-14H2,1H3;4-9,12,20H,1-3,10-11H2
InChIKeySLNQKIMQVJUWSO-UHFFFAOYSA-N
XLogP20.73
TPSA271.85 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds37
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001787.01
LogP ≤ 520.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 6-[4-(2,4-dichlorophenyl)phenyl]sulfonylhexan-1-ol;5-[4-(2,4-difluorophenyl)-3-methylphenyl]sulfonylpentan-1-ol;5-[4-(2,4-difluorophenyl)phenyl]sulfonylpentan-1-ol;5-[4-(4-methylphenyl)phenyl]sulfonylpentan-1-ol;6-[4-[2-(trifluoromethyl)phenyl]phenyl]sulfonylhexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,4-dichlorophenyl)phenyl]sulfonylhexan-1-ol;5-[4-(2,4-difluorophenyl)-3-methylphenyl]sulfonylpentan-1-ol;5-[4-(2,4-difluorophenyl)phenyl]sulfonylpentan-1-ol;5-[4-(4-methylphenyl)phenyl]sulfonylpentan-1-ol;6-[4-[2-(trifluoromethyl)phenyl]phenyl]sulfonylhexan-1-ol?
The IUPAC name of 6-[4-(2,4-dichlorophenyl)phenyl]sulfonylhexan-1-ol;5-[4-(2,4-difluorophenyl)-3-methylphenyl]sulfonylpentan-1-ol;5-[4-(2,4-difluorophenyl)phenyl]sulfonylpentan-1-ol;5-[4-(4-methylphenyl)phenyl]sulfonylpentan-1-ol;6-[4-[2-(trifluoromethyl)phenyl]phenyl]sulfonylhexan-1-ol (CID 160869225) is 6-[4-(2,4-dichlorophenyl)phenyl]sulfonylhexan-1-ol;5-[4-(2,4-difluorophenyl)-3-methylphenyl]sulfonylpentan-1-ol;5-[4-(2,4-difluorophenyl)phenyl]sulfonylpentan-1-ol;5-[4-(4-methylphenyl)phenyl]sulfonylpentan-1-ol;6-[4-[2-(trifluoromethyl)phenyl]phenyl]sulfonylhexan-1-ol.
What is the SMILES notation for 6-[4-(2,4-dichlorophenyl)phenyl]sulfonylhexan-1-ol;5-[4-(2,4-difluorophenyl)-3-methylphenyl]sulfonylpentan-1-ol;5-[4-(2,4-difluorophenyl)phenyl]sulfonylpentan-1-ol;5-[4-(4-methylphenyl)phenyl]sulfonylpentan-1-ol;6-[4-[2-(trifluoromethyl)phenyl]phenyl]sulfonylhexan-1-ol?
The canonical SMILES for 6-[4-(2,4-dichlorophenyl)phenyl]sulfonylhexan-1-ol;5-[4-(2,4-difluorophenyl)-3-methylphenyl]sulfonylpentan-1-ol;5-[4-(2,4-difluorophenyl)phenyl]sulfonylpentan-1-ol;5-[4-(4-methylphenyl)phenyl]sulfonylpentan-1-ol;6-[4-[2-(trifluoromethyl)phenyl]phenyl]sulfonylhexan-1-ol is Cc1cc(S(=O)(=O)CCCCCO)ccc1-c1ccc(F)cc1F.Cc1ccc(-c2ccc(S(=O)(=O)CCCCCO)cc2)cc1.O=S(=O)(CCCCCCO)c1ccc(-c2ccc(Cl)cc2Cl)cc1.O=S(=O)(CCCCCCO)c1ccc(-c2ccccc2C(F)(F)F)cc1.O=S(=O)(CCCCCO)c1ccc(-c2ccc(F)cc2F)cc1.
What is the InChIKey of 6-[4-(2,4-dichlorophenyl)phenyl]sulfonylhexan-1-ol;5-[4-(2,4-difluorophenyl)-3-methylphenyl]sulfonylpentan-1-ol;5-[4-(2,4-difluorophenyl)phenyl]sulfonylpentan-1-ol;5-[4-(4-methylphenyl)phenyl]sulfonylpentan-1-ol;6-[4-[2-(trifluoromethyl)phenyl]phenyl]sulfonylhexan-1-ol?
The InChIKey is SLNQKIMQVJUWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3O3S.C18H20Cl2O3S.C18H20F2O3S.C18H22O3S.C17H18F2O3S/c20-19(21,22)18-8-4-3-7-17(18)15-9-11-16(12-10-15)26(24,25)14-6-2-1-5-13-23;19-15-7-10-17(18(20)13-15)14-5-8-16(9-6-14)24(22,23)12-4-2-1-3-11-21;1-13-11-15(24(22,23)10-4-2-3-9-21)6-8-16(13)17-7-5-14(19)12-18(17)20;1-15-5-7-16(8-6-15)17-9-11-18(12-10-17)22(20,21)14-4-2-3-13-19;18-14-6-9-16(17(19)12-14)13-4-7-15(8-5-13)23(21,22)11-3-1-2-10-20/h3-4,7-12,23H,1-2,5-6,13-14H2;5-10,13,21H,1-4,11-12H2;5-8,11-12,21H,2-4,9-10H2,1H3;5-12,19H,2-4,13-14H2,1H3;4-9,12,20H,1-3,10-11H2.
What are the key properties of 6-[4-(2,4-dichlorophenyl)phenyl]sulfonylhexan-1-ol;5-[4-(2,4-difluorophenyl)-3-methylphenyl]sulfonylpentan-1-ol;5-[4-(2,4-difluorophenyl)phenyl]sulfonylpentan-1-ol;5-[4-(4-methylphenyl)phenyl]sulfonylpentan-1-ol;6-[4-[2-(trifluoromethyl)phenyl]phenyl]sulfonylhexan-1-ol?
6-[4-(2,4-dichlorophenyl)phenyl]sulfonylhexan-1-ol;5-[4-(2,4-difluorophenyl)-3-methylphenyl]sulfonylpentan-1-ol;5-[4-(2,4-difluorophenyl)phenyl]sulfonylpentan-1-ol;5-[4-(4-methylphenyl)phenyl]sulfonylpentan-1-ol;6-[4-[2-(trifluoromethyl)phenyl]phenyl]sulfonylhexan-1-ol has a molecular weight of 1787.01 g/mol, XLogP of 20.73, 37 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,4-dichlorophenyl)phenyl]sulfonylhexan-1-ol;5-[4-(2,4-difluorophenyl)-3-methylphenyl]sulfonylpentan-1-ol;5-[4-(2,4-difluorophenyl)phenyl]sulfonylpentan-1-ol;5-[4-(4-methylphenyl)phenyl]sulfonylpentan-1-ol;6-[4-[2-(trifluoromethyl)phenyl]phenyl]sulfonylhexan-1-ol is sourced from PubChem (CID 160869225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).