N-[3-[4-[2-(propan-2-ylsulfonylamino)phenyl]phenyl]phenyl]propane-2-sulfonamide

C24H28N2O4S2 — CID 91127521

IUPACN-[3-[4-[2-(propan-2-ylsulfonylamino)phenyl]phenyl]phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cccc(-c2ccc(-c3ccccc3NS(=O)(=O)C(C)C)cc2)c1
InChIInChI=1S/C24H28N2O4S2/c1-17(2)31(27,28)25-22-9-7-8-21(16-22)19-12-14-20(15-13-19)23-10-5-6-11-24(23)26-32(29,30)18(3)4/h5-18,25-26H,1-4H3
InChIKeyJHEXPKUQSWVPPN-UHFFFAOYSA-N
MW472.63 g/mol
LogP5.32
Rot. Bonds8

About N-[3-[4-[2-(propan-2-ylsulfonylamino)phenyl]phenyl]phenyl]propane-2-sulfonamide

N-[3-[4-[2-(propan-2-ylsulfonylamino)phenyl]phenyl]phenyl]propane-2-sulfonamide (PubChem CID 91127521) has the molecular formula C24H28N2O4S2 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-[3-[4-[2-(propan-2-ylsulfonylamino)phenyl]phenyl]phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-[2-(propan-2-ylsulfonylamino)phenyl]phenyl]phenyl]propane-2-sulfonamide
PubChem CID91127521
Molecular FormulaC24H28N2O4S2
Molecular Weight472.63 g/mol
Exact Mass472.15
IUPAC NameN-[3-[4-[2-(propan-2-ylsulfonylamino)phenyl]phenyl]phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cccc(-c2ccc(-c3ccccc3NS(=O)(=O)C(C)C)cc2)c1
InChIInChI=1S/C24H28N2O4S2/c1-17(2)31(27,28)25-22-9-7-8-21(16-22)19-12-14-20(15-13-19)23-10-5-6-11-24(23)26-32(29,30)18(3)4/h5-18,25-26H,1-4H3
InChIKeyJHEXPKUQSWVPPN-UHFFFAOYSA-N
XLogP5.32
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-(propan-2-ylsulfonylamino)phenyl]phenyl]phenyl]propane-2-sulfonamide?
The IUPAC name of N-[3-[4-[2-(propan-2-ylsulfonylamino)phenyl]phenyl]phenyl]propane-2-sulfonamide (CID 91127521) is N-[3-[4-[2-(propan-2-ylsulfonylamino)phenyl]phenyl]phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[3-[4-[2-(propan-2-ylsulfonylamino)phenyl]phenyl]phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[3-[4-[2-(propan-2-ylsulfonylamino)phenyl]phenyl]phenyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1cccc(-c2ccc(-c3ccccc3NS(=O)(=O)C(C)C)cc2)c1.
What is the InChIKey of N-[3-[4-[2-(propan-2-ylsulfonylamino)phenyl]phenyl]phenyl]propane-2-sulfonamide?
The InChIKey is JHEXPKUQSWVPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S2/c1-17(2)31(27,28)25-22-9-7-8-21(16-22)19-12-14-20(15-13-19)23-10-5-6-11-24(23)26-32(29,30)18(3)4/h5-18,25-26H,1-4H3.
What are the key properties of N-[3-[4-[2-(propan-2-ylsulfonylamino)phenyl]phenyl]phenyl]propane-2-sulfonamide?
N-[3-[4-[2-(propan-2-ylsulfonylamino)phenyl]phenyl]phenyl]propane-2-sulfonamide has a molecular weight of 472.63 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-(propan-2-ylsulfonylamino)phenyl]phenyl]phenyl]propane-2-sulfonamide is sourced from PubChem (CID 91127521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).