(4-chlorophenyl)-[2-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide

C24H26ClNO4S — CID 90860345

IUPAC(4-chlorophenyl)-[2-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide
SMILESCOc1cc(OC)c(C(C)C)cc1-c1ccccc1C(c1ccc(Cl)cc1)S(N)(=O)=O
InChIInChI=1S/C24H26ClNO4S/c1-15(2)20-13-21(23(30-4)14-22(20)29-3)18-7-5-6-8-19(18)24(31(26,27)28)16-9-11-17(25)12-10-16/h5-15,24H,1-4H3,(H2,26,27,28)
InChIKeyNGEHEVOWSRGUHH-UHFFFAOYSA-N
MW460.00 g/mol
LogP5.53
Rot. Bonds7

About (4-chlorophenyl)-[2-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide

(4-chlorophenyl)-[2-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide (PubChem CID 90860345) has the molecular formula C24H26ClNO4S and a molecular weight of 460.00 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide
PubChem CID90860345
Molecular FormulaC24H26ClNO4S
Molecular Weight460.00 g/mol
Exact Mass459.13
IUPAC Name(4-chlorophenyl)-[2-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide
SMILESCOc1cc(OC)c(C(C)C)cc1-c1ccccc1C(c1ccc(Cl)cc1)S(N)(=O)=O
InChIInChI=1S/C24H26ClNO4S/c1-15(2)20-13-21(23(30-4)14-22(20)29-3)18-7-5-6-8-19(18)24(31(26,27)28)16-9-11-17(25)12-10-16/h5-15,24H,1-4H3,(H2,26,27,28)
InChIKeyNGEHEVOWSRGUHH-UHFFFAOYSA-N
XLogP5.53
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.00
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide?
The IUPAC name of (4-chlorophenyl)-[2-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide (CID 90860345) is (4-chlorophenyl)-[2-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide.
What is the SMILES notation for (4-chlorophenyl)-[2-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide?
The canonical SMILES for (4-chlorophenyl)-[2-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide is COc1cc(OC)c(C(C)C)cc1-c1ccccc1C(c1ccc(Cl)cc1)S(N)(=O)=O.
What is the InChIKey of (4-chlorophenyl)-[2-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide?
The InChIKey is NGEHEVOWSRGUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO4S/c1-15(2)20-13-21(23(30-4)14-22(20)29-3)18-7-5-6-8-19(18)24(31(26,27)28)16-9-11-17(25)12-10-16/h5-15,24H,1-4H3,(H2,26,27,28).
What are the key properties of (4-chlorophenyl)-[2-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide?
(4-chlorophenyl)-[2-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide has a molecular weight of 460.00 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide is sourced from PubChem (CID 90860345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).