N-(1-bromo-3-phenylpropan-2-yl)morpholine-4-sulfonamide

C13H19BrN2O3S — CID 114296967

IUPACN-(1-bromo-3-phenylpropan-2-yl)morpholine-4-sulfonamide
SMILESO=S(=O)(NC(CBr)Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C13H19BrN2O3S/c14-11-13(10-12-4-2-1-3-5-12)15-20(17,18)16-6-8-19-9-7-16/h1-5,13,15H,6-11H2
InChIKeyDSMHIVJEPQOFAN-UHFFFAOYSA-N
MW363.28 g/mol
LogP1.16
Rot. Bonds6

About N-(1-bromo-3-phenylpropan-2-yl)morpholine-4-sulfonamide

N-(1-bromo-3-phenylpropan-2-yl)morpholine-4-sulfonamide (PubChem CID 114296967) has the molecular formula C13H19BrN2O3S and a molecular weight of 363.28 g/mol. Its IUPAC name is N-(1-bromo-3-phenylpropan-2-yl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(1-bromo-3-phenylpropan-2-yl)morpholine-4-sulfonamide
PubChem CID114296967
Molecular FormulaC13H19BrN2O3S
Molecular Weight363.28 g/mol
Exact Mass362.03
IUPAC NameN-(1-bromo-3-phenylpropan-2-yl)morpholine-4-sulfonamide
SMILESO=S(=O)(NC(CBr)Cc1ccccc1)N1CCOCC1
InChIInChI=1S/C13H19BrN2O3S/c14-11-13(10-12-4-2-1-3-5-12)15-20(17,18)16-6-8-19-9-7-16/h1-5,13,15H,6-11H2
InChIKeyDSMHIVJEPQOFAN-UHFFFAOYSA-N
XLogP1.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 51.16
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-[(2S)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-sulfonamide
CID 102675573
N-(1-bromo-3-phenylpropan-2-yl)methanesulfonamide
CID 114296939
N-(1-phenylpent-4-en-2-yl)piperidine-1-sulfonamide
CID 11109622
N-[2,6-di(propan-2-yl)phenyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide
CID 19874945
N-(1-bromo-3-phenylpropan-2-yl)cyclopentanesulfonamide
CID 105361785
N-(1-bromo-3-phenylpropan-2-yl)-4-fluorobenzenesulfonamide
CID 114296925
N-[2-(bromomethyl)phenyl]morpholine-4-sulfonamide
CID 113271455
(2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid
CID 122069411
N-(1-bromo-2-phenylpropan-2-yl)morpholine-4-sulfonamide
CID 105060261
N-(2-bromo-1-phenylethyl)azepane-1-sulfonamide
CID 114296872
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]pyrrolidine-1-sulfonamide
CID 51872327
N-(2-hydroxy-2-phenylethyl)morpholine-4-sulfonamide
CID 43502480

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-phenylpropan-2-yl)morpholine-4-sulfonamide?
The IUPAC name of N-(1-bromo-3-phenylpropan-2-yl)morpholine-4-sulfonamide (CID 114296967) is N-(1-bromo-3-phenylpropan-2-yl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(1-bromo-3-phenylpropan-2-yl)morpholine-4-sulfonamide?
The canonical SMILES for N-(1-bromo-3-phenylpropan-2-yl)morpholine-4-sulfonamide is O=S(=O)(NC(CBr)Cc1ccccc1)N1CCOCC1.
What is the InChIKey of N-(1-bromo-3-phenylpropan-2-yl)morpholine-4-sulfonamide?
The InChIKey is DSMHIVJEPQOFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O3S/c14-11-13(10-12-4-2-1-3-5-12)15-20(17,18)16-6-8-19-9-7-16/h1-5,13,15H,6-11H2.
What are the key properties of N-(1-bromo-3-phenylpropan-2-yl)morpholine-4-sulfonamide?
N-(1-bromo-3-phenylpropan-2-yl)morpholine-4-sulfonamide has a molecular weight of 363.28 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-phenylpropan-2-yl)morpholine-4-sulfonamide is sourced from PubChem (CID 114296967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).