4-bromo-N-(2-methoxyethoxy)benzenesulfonamide

C9H12BrNO4S — CID 82714595

IUPAC4-bromo-N-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCONS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO4S/c1-14-6-7-15-11-16(12,13)9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3
InChIKeyIYGYEUUPNLBCGH-UHFFFAOYSA-N
MW310.17 g/mol
LogP1.31
Rot. Bonds6

About 4-bromo-N-(2-methoxyethoxy)benzenesulfonamide

4-bromo-N-(2-methoxyethoxy)benzenesulfonamide (PubChem CID 82714595) has the molecular formula C9H12BrNO4S and a molecular weight of 310.17 g/mol. Its IUPAC name is 4-bromo-N-(2-methoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-methoxyethoxy)benzenesulfonamide
PubChem CID82714595
Molecular FormulaC9H12BrNO4S
Molecular Weight310.17 g/mol
Exact Mass308.97
IUPAC Name4-bromo-N-(2-methoxyethoxy)benzenesulfonamide
SMILESCOCCONS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H12BrNO4S/c1-14-6-7-15-11-16(12,13)9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3
InChIKeyIYGYEUUPNLBCGH-UHFFFAOYSA-N
XLogP1.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(methoxymethoxy)benzenesulfonamide
CID 110504620
N-(2-methoxyethoxy)-4-methylsulfonylbenzenesulfonamide
CID 82715379
2-[(4-bromophenyl)sulfonylamino]oxyacetic acid
CID 60661242
4-bromo-N-(3-methoxypropyl)benzenesulfonamide
CID 4619228
4-bromo-N-phenylmethoxybenzenesulfonamide
CID 45378388
N-(2-methoxyethoxy)-1,3-benzodioxole-5-sulfonamide
CID 110642725
2-hydroxy-5-(2-methoxyethoxysulfamoyl)benzoic acid
CID 82707336
2-chloro-5-(2-methoxyethoxysulfamoyl)benzoic acid
CID 82706672
4-bromo-N-(4-methoxy-2,2-dimethylbutyl)benzenesulfonamide
CID 113434225
methyl 2-[(4-bromophenyl)sulfonylamino]acetate
CID 669307
2-[(4-bromophenyl)sulfonylamino]-N-(3-methoxypropyl)propanamide
CID 2963977
4-bromo-N-(2-methoxyethoxy)benzamide
CID 79676789

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-methoxyethoxy)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-methoxyethoxy)benzenesulfonamide (CID 82714595) is 4-bromo-N-(2-methoxyethoxy)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-methoxyethoxy)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-methoxyethoxy)benzenesulfonamide is COCCONS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-methoxyethoxy)benzenesulfonamide?
The InChIKey is IYGYEUUPNLBCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO4S/c1-14-6-7-15-11-16(12,13)9-4-2-8(10)3-5-9/h2-5,11H,6-7H2,1H3.
What are the key properties of 4-bromo-N-(2-methoxyethoxy)benzenesulfonamide?
4-bromo-N-(2-methoxyethoxy)benzenesulfonamide has a molecular weight of 310.17 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-methoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 82714595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).