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

C12H17BrN2O3S — CID 114296429

IUPACN-[4-(2-bromoethyl)phenyl]morpholine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(CCBr)cc1)N1CCOCC1
InChIInChI=1S/C12H17BrN2O3S/c13-6-5-11-1-3-12(4-2-11)14-19(16,17)15-7-9-18-10-8-15/h1-4,14H,5-10H2
InChIKeyMIOKGQYXSRIUKC-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.61
Rot. Bonds5

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

N-[4-(2-bromoethyl)phenyl]morpholine-4-sulfonamide (PubChem CID 114296429) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is N-[4-(2-bromoethyl)phenyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(2-bromoethyl)phenyl]morpholine-4-sulfonamide
PubChem CID114296429
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC NameN-[4-(2-bromoethyl)phenyl]morpholine-4-sulfonamide
SMILESO=S(=O)(Nc1ccc(CCBr)cc1)N1CCOCC1
InChIInChI=1S/C12H17BrN2O3S/c13-6-5-11-1-3-12(4-2-11)14-19(16,17)15-7-9-18-10-8-15/h1-4,14H,5-10H2
InChIKeyMIOKGQYXSRIUKC-UHFFFAOYSA-N
XLogP1.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.61
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-[4-(2-chloroethyl)phenyl]morpholine-4-sulfonamide
CID 65031107
N-(4-fluorophenyl)morpholine-4-sulfonamide
CID 2978606
N-(4-hydroxyphenyl)morpholine-4-sulfonamide
CID 21238314
2-[4-(morpholin-4-ylsulfonylamino)phenyl]ethanethioamide
CID 62303922
N-(4-cyanophenyl)morpholine-4-sulfonamide
CID 28785040
N-(4-piperidin-1-ylphenyl)morpholine-4-sulfonamide
CID 110706046
2-[4-(morpholin-4-ylsulfonylamino)phenoxy]acetic acid
CID 63770992
N-(3-methylphenyl)morpholine-4-sulfonamide
CID 110706005
N-[2-(bromomethyl)phenyl]morpholine-4-sulfonamide
CID 113271455
1-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]methanesulfonamide
CID 83085852
3-[4-(pyrrolidin-1-ylsulfonylamino)phenyl]propanoic acid
CID 115339542
N-(3-chloro-4-ethylphenyl)morpholine-4-sulfonamide
CID 126801854

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromoethyl)phenyl]morpholine-4-sulfonamide?
The IUPAC name of N-[4-(2-bromoethyl)phenyl]morpholine-4-sulfonamide (CID 114296429) is N-[4-(2-bromoethyl)phenyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[4-(2-bromoethyl)phenyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[4-(2-bromoethyl)phenyl]morpholine-4-sulfonamide is O=S(=O)(Nc1ccc(CCBr)cc1)N1CCOCC1.
What is the InChIKey of N-[4-(2-bromoethyl)phenyl]morpholine-4-sulfonamide?
The InChIKey is MIOKGQYXSRIUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c13-6-5-11-1-3-12(4-2-11)14-19(16,17)15-7-9-18-10-8-15/h1-4,14H,5-10H2.
What are the key properties of N-[4-(2-bromoethyl)phenyl]morpholine-4-sulfonamide?
N-[4-(2-bromoethyl)phenyl]morpholine-4-sulfonamide has a molecular weight of 349.25 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromoethyl)phenyl]morpholine-4-sulfonamide is sourced from PubChem (CID 114296429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).