N-[2-(bromomethyl)phenyl]morpholine-4-sulfonamide

C11H15BrN2O3S — CID 113271455

IUPACN-[2-(bromomethyl)phenyl]morpholine-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1CBr)N1CCOCC1
InChIInChI=1S/C11H15BrN2O3S/c12-9-10-3-1-2-4-11(10)13-18(15,16)14-5-7-17-8-6-14/h1-4,13H,5-9H2
InChIKeyNMIFBOPOOZKAEM-UHFFFAOYSA-N
MW335.22 g/mol
LogP1.57
Rot. Bonds4

About N-[2-(bromomethyl)phenyl]morpholine-4-sulfonamide

N-[2-(bromomethyl)phenyl]morpholine-4-sulfonamide (PubChem CID 113271455) has the molecular formula C11H15BrN2O3S and a molecular weight of 335.22 g/mol. Its IUPAC name is N-[2-(bromomethyl)phenyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)phenyl]morpholine-4-sulfonamide
PubChem CID113271455
Molecular FormulaC11H15BrN2O3S
Molecular Weight335.22 g/mol
Exact Mass334.00
IUPAC NameN-[2-(bromomethyl)phenyl]morpholine-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1CBr)N1CCOCC1
InChIInChI=1S/C11H15BrN2O3S/c12-9-10-3-1-2-4-11(10)13-18(15,16)14-5-7-17-8-6-14/h1-4,13H,5-9H2
InChIKeyNMIFBOPOOZKAEM-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 51.57
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-(methylaminomethyl)phenyl]morpholine-4-sulfonamide
CID 43606105
N-(2-fluorophenyl)morpholine-4-sulfonamide
CID 110706019
N-[2-(4-hydroxybut-1-ynyl)phenyl]morpholine-4-sulfonamide
CID 60814266
N-[2-(bromomethyl)phenyl]methanesulfonamide
CID 114296091
N-[4-(2-bromoethyl)phenyl]morpholine-4-sulfonamide
CID 114296429
N-(4-bromo-2-fluorophenyl)morpholine-4-sulfonamide
CID 28785168
N-[2-fluoro-6-(propan-2-ylamino)phenyl]morpholine-4-sulfonamide
CID 136518921
N-(3-methylphenyl)morpholine-4-sulfonamide
CID 110706005
N-(1-bromo-3-phenylpropan-2-yl)morpholine-4-sulfonamide
CID 114296967
N-(1-bromo-2-phenylpropan-2-yl)morpholine-4-sulfonamide
CID 105060261
N-(3-amino-2,4-dimethylphenyl)morpholine-4-sulfonamide
CID 54880810
4-(benzenesulfonyl)morpholine;ethane
CID 143200179

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)phenyl]morpholine-4-sulfonamide?
The IUPAC name of N-[2-(bromomethyl)phenyl]morpholine-4-sulfonamide (CID 113271455) is N-[2-(bromomethyl)phenyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)phenyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[2-(bromomethyl)phenyl]morpholine-4-sulfonamide is O=S(=O)(Nc1ccccc1CBr)N1CCOCC1.
What is the InChIKey of N-[2-(bromomethyl)phenyl]morpholine-4-sulfonamide?
The InChIKey is NMIFBOPOOZKAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3S/c12-9-10-3-1-2-4-11(10)13-18(15,16)14-5-7-17-8-6-14/h1-4,13H,5-9H2.
What are the key properties of N-[2-(bromomethyl)phenyl]morpholine-4-sulfonamide?
N-[2-(bromomethyl)phenyl]morpholine-4-sulfonamide has a molecular weight of 335.22 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)phenyl]morpholine-4-sulfonamide is sourced from PubChem (CID 113271455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).