2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide

C11H17BrN2O3S — CID 61444697

IUPAC2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
SMILESCCN(CCOC)S(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C11H17BrN2O3S/c1-3-14(6-7-17-2)18(15,16)11-5-4-9(12)8-10(11)13/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyUQIKNIIJNJLAEC-UHFFFAOYSA-N
MW337.24 g/mol
LogP1.69
Rot. Bonds6

About 2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide

2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 61444697) has the molecular formula C11H17BrN2O3S and a molecular weight of 337.24 g/mol. Its IUPAC name is 2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID61444697
Molecular FormulaC11H17BrN2O3S
Molecular Weight337.24 g/mol
Exact Mass336.01
IUPAC Name2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
SMILESCCN(CCOC)S(=O)(=O)c1ccc(Br)cc1N
InChIInChI=1S/C11H17BrN2O3S/c1-3-14(6-7-17-2)18(15,16)11-5-4-9(12)8-10(11)13/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyUQIKNIIJNJLAEC-UHFFFAOYSA-N
XLogP1.69
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61126854
methyl 3-amino-4-[ethyl(2-methoxyethyl)sulfamoyl]benzoate
CID 61444348
2-amino-4-bromo-N,N-bis(2-hydroxyethyl)benzenesulfonamide
CID 61138879
2-amino-4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 63402277
4-amino-N-ethyl-2-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 61444696
2,4-dibromo-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 63691305
2-amino-4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethylbenzenesulfonamide
CID 63402190
2-amino-N-(2-ethoxyethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63698233
2-amino-4-bromo-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 43258905
1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide
CID 61384433
6-amino-N-ethyl-N-(2-methoxyethyl)-1H-indole-3-sulfonamide
CID 66000340
5-bromo-N-ethyl-2-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62157414

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide (CID 61444697) is 2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide is CCN(CCOC)S(=O)(=O)c1ccc(Br)cc1N.
What is the InChIKey of 2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is UQIKNIIJNJLAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S/c1-3-14(6-7-17-2)18(15,16)11-5-4-9(12)8-10(11)13/h4-5,8H,3,6-7,13H2,1-2H3.
What are the key properties of 2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide?
2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 337.24 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 61444697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).