5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(2-phenylacetyl)benzenesulfonamide

C34H26Cl2FNO4S — CID 58531554

IUPAC5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(2-phenylacetyl)benzenesulfonamide
SMILESO=C(Cc1ccccc1)c1cc(Cl)cc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2cccc(-c3ccc(Cl)cc3)c2)c1O
InChIInChI=1S/C34H26Cl2FNO4S/c35-28-13-11-26(12-14-28)27-8-4-7-25(17-27)22-38(21-24-9-15-30(37)16-10-24)43(41,42)33-20-29(36)19-31(34(33)40)32(39)18-23-5-2-1-3-6-23/h1-17,19-20,40H,18,21-22H2
InChIKeyFBIFZCWZSYORKU-UHFFFAOYSA-N
MW634.56 g/mol
LogP8.32
Rot. Bonds10

About 5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(2-phenylacetyl)benzenesulfonamide

5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(2-phenylacetyl)benzenesulfonamide (PubChem CID 58531554) has the molecular formula C34H26Cl2FNO4S and a molecular weight of 634.56 g/mol. Its IUPAC name is 5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(2-phenylacetyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(2-phenylacetyl)benzenesulfonamide
PubChem CID58531554
Molecular FormulaC34H26Cl2FNO4S
Molecular Weight634.56 g/mol
Exact Mass633.09
IUPAC Name5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(2-phenylacetyl)benzenesulfonamide
SMILESO=C(Cc1ccccc1)c1cc(Cl)cc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2cccc(-c3ccc(Cl)cc3)c2)c1O
InChIInChI=1S/C34H26Cl2FNO4S/c35-28-13-11-26(12-14-28)27-8-4-7-25(17-27)22-38(21-24-9-15-30(37)16-10-24)43(41,42)33-20-29(36)19-31(34(33)40)32(39)18-23-5-2-1-3-6-23/h1-17,19-20,40H,18,21-22H2
InChIKeyFBIFZCWZSYORKU-UHFFFAOYSA-N
XLogP8.32
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.56
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(2-phenylacetyl)benzenesulfonamide?
The IUPAC name of 5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(2-phenylacetyl)benzenesulfonamide (CID 58531554) is 5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(2-phenylacetyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(2-phenylacetyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(2-phenylacetyl)benzenesulfonamide is O=C(Cc1ccccc1)c1cc(Cl)cc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2cccc(-c3ccc(Cl)cc3)c2)c1O.
What is the InChIKey of 5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(2-phenylacetyl)benzenesulfonamide?
The InChIKey is FBIFZCWZSYORKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26Cl2FNO4S/c35-28-13-11-26(12-14-28)27-8-4-7-25(17-27)22-38(21-24-9-15-30(37)16-10-24)43(41,42)33-20-29(36)19-31(34(33)40)32(39)18-23-5-2-1-3-6-23/h1-17,19-20,40H,18,21-22H2.
What are the key properties of 5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(2-phenylacetyl)benzenesulfonamide?
5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(2-phenylacetyl)benzenesulfonamide has a molecular weight of 634.56 g/mol, XLogP of 8.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(2-phenylacetyl)benzenesulfonamide is sourced from PubChem (CID 58531554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).