N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzenesulfonamide

C21H29N3O5S2 — CID 5205913

IUPACN,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C21H29N3O5S2/c1-4-24(5-2)31(27,28)19-10-11-21(23-12-14-29-15-13-23)20(16-19)22-30(25,26)18-8-6-17(3)7-9-18/h6-11,16,22H,4-5,12-15H2,1-3H3
InChIKeyJEGAEZFNYLRTAY-UHFFFAOYSA-N
MW467.61 g/mol
LogP2.66
Rot. Bonds8

About N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzenesulfonamide

N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzenesulfonamide (PubChem CID 5205913) has the molecular formula C21H29N3O5S2 and a molecular weight of 467.61 g/mol. Its IUPAC name is N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzenesulfonamide
PubChem CID5205913
Molecular FormulaC21H29N3O5S2
Molecular Weight467.61 g/mol
Exact Mass467.15
IUPAC NameN,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C21H29N3O5S2/c1-4-24(5-2)31(27,28)19-10-11-21(23-12-14-29-15-13-23)20(16-19)22-30(25,26)18-8-6-17(3)7-9-18/h6-11,16,22H,4-5,12-15H2,1-3H3
InChIKeyJEGAEZFNYLRTAY-UHFFFAOYSA-N
XLogP2.66
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzenesulfonamide (CID 5205913) is N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzenesulfonamide?
The InChIKey is JEGAEZFNYLRTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5S2/c1-4-24(5-2)31(27,28)19-10-11-21(23-12-14-29-15-13-23)20(16-19)22-30(25,26)18-8-6-17(3)7-9-18/h6-11,16,22H,4-5,12-15H2,1-3H3.
What are the key properties of N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzenesulfonamide?
N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzenesulfonamide has a molecular weight of 467.61 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 5205913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).