2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide

C10H14BrN3O4S — CID 106233732

IUPAC2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide
SMILESNC(=O)COCCNS(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C10H14BrN3O4S/c11-7-1-2-8(12)9(5-7)19(16,17)14-3-4-18-6-10(13)15/h1-2,5,14H,3-4,6,12H2,(H2,13,15)
InChIKeyPRPMLXCFYSTXTN-UHFFFAOYSA-N
MW352.21 g/mol
LogP-0.19
Rot. Bonds7

About 2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide

2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide (PubChem CID 106233732) has the molecular formula C10H14BrN3O4S and a molecular weight of 352.21 g/mol. Its IUPAC name is 2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide
PubChem CID106233732
Molecular FormulaC10H14BrN3O4S
Molecular Weight352.21 g/mol
Exact Mass350.99
IUPAC Name2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide
SMILESNC(=O)COCCNS(=O)(=O)c1cc(Br)ccc1N
InChIInChI=1S/C10H14BrN3O4S/c11-7-1-2-8(12)9(5-7)19(16,17)14-3-4-18-6-10(13)15/h1-2,5,14H,3-4,6,12H2,(H2,13,15)
InChIKeyPRPMLXCFYSTXTN-UHFFFAOYSA-N
XLogP-0.19
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-amino-5-bromophenyl)sulfonylamino]butanamide
CID 54888437
2-[2-[(2-amino-4,5-dimethylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233857
2-amino-5-bromo-N-[3-(2-hydroxyethoxy)propyl]benzenesulfonamide
CID 106308704
4-[2-(2-amino-2-oxoethoxy)ethylsulfamoyl]-3-bromobenzoic acid
CID 104655952
2-[2-[(4-amino-2-methylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233837
(2-amino-5-bromophenyl)sulfonylurea
CID 116646105
2-[2-[(3-amino-4-ethylphenyl)sulfonylamino]ethoxy]acetamide
CID 106233792
2-[2-[[2-(aminomethyl)phenyl]sulfonylamino]ethoxy]acetamide
CID 106235304
2-[2-(benzenesulfonamido)ethoxy]acetamide
CID 103766575
2-amino-5-bromo-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333410
2-amino-5-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333542
2-amino-5-bromo-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 54888653

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide (CID 106233732) is 2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide is NC(=O)COCCNS(=O)(=O)c1cc(Br)ccc1N.
What is the InChIKey of 2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide?
The InChIKey is PRPMLXCFYSTXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O4S/c11-7-1-2-8(12)9(5-7)19(16,17)14-3-4-18-6-10(13)15/h1-2,5,14H,3-4,6,12H2,(H2,13,15).
What are the key properties of 2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide?
2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide has a molecular weight of 352.21 g/mol, XLogP of -0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-5-bromophenyl)sulfonylamino]ethoxy]acetamide is sourced from PubChem (CID 106233732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).