N-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide

C21H28N2O3S — CID 90200813

IUPACN-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide
SMILESCC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H28N2O3S/c1-18(2)16-23(17-19-6-4-3-5-7-19)27(24,25)21-10-8-20(9-11-21)22-12-14-26-15-13-22/h3-11,18H,12-17H2,1-2H3
InChIKeySEZDYZJXWBQCRQ-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.37
Rot. Bonds7

About N-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide

N-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide (PubChem CID 90200813) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide
PubChem CID90200813
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide
SMILESCC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C21H28N2O3S/c1-18(2)16-23(17-19-6-4-3-5-7-19)27(24,25)21-10-8-20(9-11-21)22-12-14-26-15-13-22/h3-11,18H,12-17H2,1-2H3
InChIKeySEZDYZJXWBQCRQ-UHFFFAOYSA-N
XLogP3.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide (CID 90200813) is N-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide is CC(C)CN(Cc1ccccc1)S(=O)(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of N-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide?
The InChIKey is SEZDYZJXWBQCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-18(2)16-23(17-19-6-4-3-5-7-19)27(24,25)21-10-8-20(9-11-21)22-12-14-26-15-13-22/h3-11,18H,12-17H2,1-2H3.
What are the key properties of N-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide?
N-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide has a molecular weight of 388.53 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 90200813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).