2-[4-(benzenesulfonyl)-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;1-chloro-2-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]sulfonylbenzene;1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]propan-2-ol

C92H75Cl3F22O17S6 — CID 157374222

IUPAC2-[4-(benzenesulfonyl)-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;1-chloro-2-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]sulfonylbenzene;1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]propan-2-ol
SMILESCC(F)(c1ccc(S(=O)(=O)c2ccccc2Cl)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccccc2)c(Cl)c1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccccc2)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccccc2C(F)(F)F)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccccc2Cl)cc1)C(F)(F)F.Cc1ccccc1S(=O)(=O)c1ccc(C(C)(O)C(F)(F)F)cc1
InChIInChI=1S/C16H12F6O3S.C16H15F3O3S.C15H11ClF4O2S.2C15H12ClF3O3S.C15H13F3O3S/c1-14(23,16(20,21)22)10-6-8-11(9-7-10)26(24,25)13-5-3-2-4-12(13)15(17,18)19;1-11-5-3-4-6-14(11)23(21,22)13-9-7-12(8-10-13)15(2,20)16(17,18)19;1-14(17,15(18,19)20)10-6-8-11(9-7-10)23(21,22)13-5-3-2-4-12(13)16;1-14(20,15(17,18)19)10-6-8-11(9-7-10)23(21,22)13-5-3-2-4-12(13)16;1-14(20,15(17,18)19)10-7-8-13(12(16)9-10)23(21,22)11-5-3-2-4-6-11;1-14(19,15(16,17)18)11-7-9-13(10-8-11)22(20,21)12-5-3-2-4-6-12/h2-9,23H,1H3;3-10,20H,1-2H3;2-9H,1H3;2*2-9,20H,1H3;2-10,19H,1H3
InChIKeyBKDADUKHXMYSEQ-UHFFFAOYSA-N
MW2169.31 g/mol
LogP24.00
Rot. Bonds18

About 2-[4-(benzenesulfonyl)-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;1-chloro-2-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]sulfonylbenzene;1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]propan-2-ol

2-[4-(benzenesulfonyl)-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;1-chloro-2-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]sulfonylbenzene;1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]propan-2-ol (PubChem CID 157374222) has the molecular formula C92H75Cl3F22O17S6 and a molecular weight of 2169.31 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;1-chloro-2-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]sulfonylbenzene;1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;1-chloro-2-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]sulfonylbenzene;1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]propan-2-ol
PubChem CID157374222
Molecular FormulaC92H75Cl3F22O17S6
Molecular Weight2169.31 g/mol
Exact Mass2166.20
IUPAC Name2-[4-(benzenesulfonyl)-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;1-chloro-2-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]sulfonylbenzene;1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]propan-2-ol
SMILESCC(F)(c1ccc(S(=O)(=O)c2ccccc2Cl)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccccc2)c(Cl)c1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccccc2)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccccc2C(F)(F)F)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccccc2Cl)cc1)C(F)(F)F.Cc1ccccc1S(=O)(=O)c1ccc(C(C)(O)C(F)(F)F)cc1
InChIInChI=1S/C16H12F6O3S.C16H15F3O3S.C15H11ClF4O2S.2C15H12ClF3O3S.C15H13F3O3S/c1-14(23,16(20,21)22)10-6-8-11(9-7-10)26(24,25)13-5-3-2-4-12(13)15(17,18)19;1-11-5-3-4-6-14(11)23(21,22)13-9-7-12(8-10-13)15(2,20)16(17,18)19;1-14(17,15(18,19)20)10-6-8-11(9-7-10)23(21,22)13-5-3-2-4-12(13)16;1-14(20,15(17,18)19)10-6-8-11(9-7-10)23(21,22)13-5-3-2-4-12(13)16;1-14(20,15(17,18)19)10-7-8-13(12(16)9-10)23(21,22)11-5-3-2-4-6-11;1-14(19,15(16,17)18)11-7-9-13(10-8-11)22(20,21)12-5-3-2-4-6-12/h2-9,23H,1H3;3-10,20H,1-2H3;2-9H,1H3;2*2-9,20H,1H3;2-10,19H,1H3
InChIKeyBKDADUKHXMYSEQ-UHFFFAOYSA-N
XLogP24.00
TPSA305.99 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002169.31
LogP ≤ 524.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 2-[4-(benzenesulfonyl)-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;1-chloro-2-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]sulfonylbenzene;1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;1-chloro-2-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]sulfonylbenzene;1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]propan-2-ol?
The IUPAC name of 2-[4-(benzenesulfonyl)-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;1-chloro-2-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]sulfonylbenzene;1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]propan-2-ol (CID 157374222) is 2-[4-(benzenesulfonyl)-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;1-chloro-2-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]sulfonylbenzene;1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]propan-2-ol.
What is the SMILES notation for 2-[4-(benzenesulfonyl)-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;1-chloro-2-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]sulfonylbenzene;1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]propan-2-ol?
The canonical SMILES for 2-[4-(benzenesulfonyl)-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;1-chloro-2-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]sulfonylbenzene;1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]propan-2-ol is CC(F)(c1ccc(S(=O)(=O)c2ccccc2Cl)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccccc2)c(Cl)c1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccccc2)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccccc2C(F)(F)F)cc1)C(F)(F)F.CC(O)(c1ccc(S(=O)(=O)c2ccccc2Cl)cc1)C(F)(F)F.Cc1ccccc1S(=O)(=O)c1ccc(C(C)(O)C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(benzenesulfonyl)-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;1-chloro-2-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]sulfonylbenzene;1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]propan-2-ol?
The InChIKey is BKDADUKHXMYSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6O3S.C16H15F3O3S.C15H11ClF4O2S.2C15H12ClF3O3S.C15H13F3O3S/c1-14(23,16(20,21)22)10-6-8-11(9-7-10)26(24,25)13-5-3-2-4-12(13)15(17,18)19;1-11-5-3-4-6-14(11)23(21,22)13-9-7-12(8-10-13)15(2,20)16(17,18)19;1-14(17,15(18,19)20)10-6-8-11(9-7-10)23(21,22)13-5-3-2-4-12(13)16;1-14(20,15(17,18)19)10-6-8-11(9-7-10)23(21,22)13-5-3-2-4-12(13)16;1-14(20,15(17,18)19)10-7-8-13(12(16)9-10)23(21,22)11-5-3-2-4-6-11;1-14(19,15(16,17)18)11-7-9-13(10-8-11)22(20,21)12-5-3-2-4-6-12/h2-9,23H,1H3;3-10,20H,1-2H3;2-9H,1H3;2*2-9,20H,1H3;2-10,19H,1H3.
What are the key properties of 2-[4-(benzenesulfonyl)-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;1-chloro-2-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]sulfonylbenzene;1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]propan-2-ol?
2-[4-(benzenesulfonyl)-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;1-chloro-2-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]sulfonylbenzene;1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]propan-2-ol has a molecular weight of 2169.31 g/mol, XLogP of 24.00, 18 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)-3-chlorophenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(benzenesulfonyl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(2-chlorophenyl)sulfonylphenyl]-1,1,1-trifluoropropan-2-ol;1-chloro-2-[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]sulfonylbenzene;1,1,1-trifluoro-2-[4-(2-methylphenyl)sulfonylphenyl]propan-2-ol;1,1,1-trifluoro-2-[4-[2-(trifluoromethyl)phenyl]sulfonylphenyl]propan-2-ol is sourced from PubChem (CID 157374222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).