N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide

C11H15BrN2O4S — CID 31391788

IUPACN-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(C)=O)cc1Br
InChIInChI=1S/C11H15BrN2O4S/c1-8(15)13-5-6-14-19(16,17)9-3-4-11(18-2)10(12)7-9/h3-4,7,14H,5-6H2,1-2H3,(H,13,15)
InChIKeyWOVBLEUOKINRBH-UHFFFAOYSA-N
MW351.22 g/mol
LogP0.87
Rot. Bonds6

About N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide

N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide (PubChem CID 31391788) has the molecular formula C11H15BrN2O4S and a molecular weight of 351.22 g/mol. Its IUPAC name is N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide
PubChem CID31391788
Molecular FormulaC11H15BrN2O4S
Molecular Weight351.22 g/mol
Exact Mass349.99
IUPAC NameN-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(C)=O)cc1Br
InChIInChI=1S/C11H15BrN2O4S/c1-8(15)13-5-6-14-19(16,17)9-3-4-11(18-2)10(12)7-9/h3-4,7,14H,5-6H2,1-2H3,(H,13,15)
InChIKeyWOVBLEUOKINRBH-UHFFFAOYSA-N
XLogP0.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2880554
3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
CID 103918422
3-bromo-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698727
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509
N-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]acetamide
CID 26942986
N-[4-[(2-methoxy-5-methylsulfonylphenyl)sulfonylamino]butyl]acetamide
CID 110356844
N-[2-[(4-methylsulfonylphenyl)sulfonylamino]ethyl]acetamide
CID 110759438
3-bromo-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 2263565
N-(2-aminopropyl)-3-bromo-4-methoxybenzenesulfonamide
CID 63733775
3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
CID 103723853
N-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 43552681
N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 35304540

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide?
The IUPAC name of N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide (CID 31391788) is N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide is COc1ccc(S(=O)(=O)NCCNC(C)=O)cc1Br.
What is the InChIKey of N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide?
The InChIKey is WOVBLEUOKINRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4S/c1-8(15)13-5-6-14-19(16,17)9-3-4-11(18-2)10(12)7-9/h3-4,7,14H,5-6H2,1-2H3,(H,13,15).
What are the key properties of N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide?
N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide has a molecular weight of 351.22 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromo-4-methoxyphenyl)sulfonylamino]ethyl]acetamide is sourced from PubChem (CID 31391788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).