N-(1-bromo-2-phenylpropan-2-yl)morpholine-4-sulfonamide

C13H19BrN2O3S — CID 105060261

IUPACN-(1-bromo-2-phenylpropan-2-yl)morpholine-4-sulfonamide
SMILESCC(CBr)(NS(=O)(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C13H19BrN2O3S/c1-13(11-14,12-5-3-2-4-6-12)15-20(17,18)16-7-9-19-10-8-16/h2-6,15H,7-11H2,1H3
InChIKeyDXOKERONWPIZGA-UHFFFAOYSA-N
MW363.28 g/mol
LogP1.46
Rot. Bonds5

About N-(1-bromo-2-phenylpropan-2-yl)morpholine-4-sulfonamide

N-(1-bromo-2-phenylpropan-2-yl)morpholine-4-sulfonamide (PubChem CID 105060261) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is N-(1-bromo-2-phenylpropan-2-yl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(1-bromo-2-phenylpropan-2-yl)morpholine-4-sulfonamide
PubChem CID105060261
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC NameN-(1-bromo-2-phenylpropan-2-yl)morpholine-4-sulfonamide
SMILESCC(CBr)(NS(=O)(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C13H19BrN2O3S/c1-13(11-14,12-5-3-2-4-6-12)15-20(17,18)16-7-9-19-10-8-16/h2-6,15H,7-11H2,1H3
InChIKeyDXOKERONWPIZGA-UHFFFAOYSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-methyl-1-phenylpropyl)morpholine-4-sulfonamide
CID 42937621
N-[1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide
CID 51113650
N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]morpholine-4-sulfonamide
CID 52281894
N-[(1S)-1-(3,4-difluorophenyl)ethyl]morpholine-4-sulfonamide
CID 93608539
N-benzylmorpholine-4-sulfonamide
CID 2991918
N-[(S)-cyclopropyl(phenyl)methyl]morpholine-4-sulfonamide
CID 132530969
N-[1-(2-fluorophenyl)ethyl]morpholine-4-sulfonamide
CID 45804502
N-[1-(3-fluorophenyl)ethyl]morpholine-4-sulfonamide
CID 45804503
N-[1-(3,4-difluorophenyl)ethyl]morpholine-4-sulfonamide
CID 45804504
N-[1-(2,5-difluorophenyl)ethyl]morpholine-4-sulfonamide
CID 45818121
N-[1-(4-fluorophenyl)ethyl]morpholine-4-sulfonamide
CID 46514695
N-[1-(2,4-difluorophenyl)ethyl]morpholine-4-sulfonamide
CID 51335471

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-phenylpropan-2-yl)morpholine-4-sulfonamide?
The IUPAC name of N-(1-bromo-2-phenylpropan-2-yl)morpholine-4-sulfonamide (CID 105060261) is N-(1-bromo-2-phenylpropan-2-yl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(1-bromo-2-phenylpropan-2-yl)morpholine-4-sulfonamide?
The canonical SMILES for N-(1-bromo-2-phenylpropan-2-yl)morpholine-4-sulfonamide is CC(CBr)(NS(=O)(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of N-(1-bromo-2-phenylpropan-2-yl)morpholine-4-sulfonamide?
The InChIKey is DXOKERONWPIZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c1-13(11-14,12-5-3-2-4-6-12)15-20(17,18)16-7-9-19-10-8-16/h2-6,15H,7-11H2,1H3.
What are the key properties of N-(1-bromo-2-phenylpropan-2-yl)morpholine-4-sulfonamide?
N-(1-bromo-2-phenylpropan-2-yl)morpholine-4-sulfonamide has a molecular weight of 363.28 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-phenylpropan-2-yl)morpholine-4-sulfonamide is sourced from PubChem (CID 105060261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).