N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide

C9H13BrN2O3S — CID 79768293

IUPACN-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc(Br)c(N)c1
InChIInChI=1S/C9H13BrN2O3S/c1-15-4-5-16(13,14)12-7-2-3-8(10)9(11)6-7/h2-3,6,12H,4-5,11H2,1H3
InChIKeySFHSGEQQGRINSZ-UHFFFAOYSA-N
MW309.19 g/mol
LogP1.42
Rot. Bonds5

About N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide

N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide (PubChem CID 79768293) has the molecular formula C9H13BrN2O3S and a molecular weight of 309.19 g/mol. Its IUPAC name is N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide
PubChem CID79768293
Molecular FormulaC9H13BrN2O3S
Molecular Weight309.19 g/mol
Exact Mass307.98
IUPAC NameN-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc(Br)c(N)c1
InChIInChI=1S/C9H13BrN2O3S/c1-15-4-5-16(13,14)12-7-2-3-8(10)9(11)6-7/h2-3,6,12H,4-5,11H2,1H3
InChIKeySFHSGEQQGRINSZ-UHFFFAOYSA-N
XLogP1.42
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-ethylphenyl)-2-methoxyethanesulfonamide
CID 55009496
N-(3-amino-4-bromophenyl)-2-methylsulfonylethanesulfonamide
CID 79768205
4-bromo-1-N-(2-methoxyethylsulfamoyl)benzene-1,3-diamine
CID 114814198
N-(3-amino-4-methoxyphenyl)-3-methoxypropane-1-sulfonamide
CID 63288254
ethyl 2-[(3-amino-4-bromophenyl)sulfamoyl]acetate
CID 79767666
N-(3-bromo-4-fluorophenyl)-3-methoxypropane-1-sulfonamide
CID 104779607
N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide
CID 65431442
N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide
CID 65030956
N-[3-bromo-4-(2-methoxyethoxy)phenyl]ethanesulfonamide
CID 166594055
3-fluoro-5-(2-methoxyethylsulfonylamino)benzenesulfonamide
CID 55014078
N-(4-bromo-3-iodophenyl)-2-propan-2-yloxyethanesulfonamide
CID 113249970
N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide
CID 43604998

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide (CID 79768293) is N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)Nc1ccc(Br)c(N)c1.
What is the InChIKey of N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide?
The InChIKey is SFHSGEQQGRINSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O3S/c1-15-4-5-16(13,14)12-7-2-3-8(10)9(11)6-7/h2-3,6,12H,4-5,11H2,1H3.
What are the key properties of N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide?
N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide has a molecular weight of 309.19 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-bromophenyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 79768293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).