N-[1-[(1R)-1-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide

C26H22Cl2N4O3S — CID 122429351

IUPACN-[1-[(1R)-1-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide
SMILESCC[C@@](c1ccc(Cl)cc1)(c1nnc(-c2ccc(Cl)cc2)o1)n1ccc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C26H22Cl2N4O3S/c1-3-26(18-9-13-20(28)14-10-18,25-30-29-24(35-25)17-7-11-19(27)12-8-17)32-16-15-21-22(31-36(2,33)34)5-4-6-23(21)32/h4-16,31H,3H2,1-2H3/t26-/m1/s1
InChIKeyMUEZMYPDYQOIRE-AREMUKBSSA-N
MW541.46 g/mol
LogP6.57
Rot. Bonds7

About N-[1-[(1R)-1-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide

N-[1-[(1R)-1-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide (PubChem CID 122429351) has the molecular formula C26H22Cl2N4O3S and a molecular weight of 541.46 g/mol. Its IUPAC name is N-[1-[(1R)-1-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(1R)-1-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide
PubChem CID122429351
Molecular FormulaC26H22Cl2N4O3S
Molecular Weight541.46 g/mol
Exact Mass540.08
IUPAC NameN-[1-[(1R)-1-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide
SMILESCC[C@@](c1ccc(Cl)cc1)(c1nnc(-c2ccc(Cl)cc2)o1)n1ccc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C26H22Cl2N4O3S/c1-3-26(18-9-13-20(28)14-10-18,25-30-29-24(35-25)17-7-11-19(27)12-8-17)32-16-15-21-22(31-36(2,33)34)5-4-6-23(21)32/h4-16,31H,3H2,1-2H3/t26-/m1/s1
InChIKeyMUEZMYPDYQOIRE-AREMUKBSSA-N
XLogP6.57
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.46
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(1R)-1-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1R)-1-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(1R)-1-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide (CID 122429351) is N-[1-[(1R)-1-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(1R)-1-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(1R)-1-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide is CC[C@@](c1ccc(Cl)cc1)(c1nnc(-c2ccc(Cl)cc2)o1)n1ccc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of N-[1-[(1R)-1-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide?
The InChIKey is MUEZMYPDYQOIRE-AREMUKBSSA-N. The full InChI is InChI=1S/C26H22Cl2N4O3S/c1-3-26(18-9-13-20(28)14-10-18,25-30-29-24(35-25)17-7-11-19(27)12-8-17)32-16-15-21-22(31-36(2,33)34)5-4-6-23(21)32/h4-16,31H,3H2,1-2H3/t26-/m1/s1.
What are the key properties of N-[1-[(1R)-1-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide?
N-[1-[(1R)-1-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide has a molecular weight of 541.46 g/mol, XLogP of 6.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1R)-1-(4-chlorophenyl)-1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propyl]indol-4-yl]methanesulfonamide is sourced from PubChem (CID 122429351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).