2-bromo-N-[4-(2-methoxyethoxy)butyl]benzenesulfonamide

C13H20BrNO4S — CID 115600011

IUPAC2-bromo-N-[4-(2-methoxyethoxy)butyl]benzenesulfonamide
SMILESCOCCOCCCCNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C13H20BrNO4S/c1-18-10-11-19-9-5-4-8-15-20(16,17)13-7-3-2-6-12(13)14/h2-3,6-7,15H,4-5,8-11H2,1H3
InChIKeyXXACQIBASBFIBS-UHFFFAOYSA-N
MW366.28 g/mol
LogP2.17
Rot. Bonds10

About 2-bromo-N-[4-(2-methoxyethoxy)butyl]benzenesulfonamide

2-bromo-N-[4-(2-methoxyethoxy)butyl]benzenesulfonamide (PubChem CID 115600011) has the molecular formula C13H20BrNO4S and a molecular weight of 366.28 g/mol. Its IUPAC name is 2-bromo-N-[4-(2-methoxyethoxy)butyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[4-(2-methoxyethoxy)butyl]benzenesulfonamide
PubChem CID115600011
Molecular FormulaC13H20BrNO4S
Molecular Weight366.28 g/mol
Exact Mass365.03
IUPAC Name2-bromo-N-[4-(2-methoxyethoxy)butyl]benzenesulfonamide
SMILESCOCCOCCCCNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C13H20BrNO4S/c1-18-10-11-19-9-5-4-8-15-20(16,17)13-7-3-2-6-12(13)14/h2-3,6-7,15H,4-5,8-11H2,1H3
InChIKeyXXACQIBASBFIBS-UHFFFAOYSA-N
XLogP2.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[3-(2-methoxyethoxy)propyl]benzenesulfonamide
CID 47121896
2-bromo-N-[3-(2-chloroethoxy)propyl]benzenesulfonamide
CID 114171204
2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717320
2-hydroxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 81241088
2-bromo-N-(3-bromo-4-methoxybutyl)benzenesulfonamide
CID 106245635
methyl 2-(5-methoxypentylsulfamoyl)benzoate
CID 103833559
2-chloro-N-[3-(2-methoxyethoxy)propyl]pyridine-3-sulfonamide
CID 61250348
2-bromo-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698735
4-bromo-3-(3-methoxypropylsulfamoyl)benzoic acid
CID 43235288
5-bromo-N-[3-(2-methoxyethoxy)propyl]thiophene-2-sulfonamide
CID 51249234
2-bromo-N-pent-4-ynylbenzenesulfonamide
CID 103698102
N-[3-(2-methoxyethoxy)propyl]-4-methylsulfonylbenzenesulfonamide
CID 55559817

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(2-methoxyethoxy)butyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[4-(2-methoxyethoxy)butyl]benzenesulfonamide (CID 115600011) is 2-bromo-N-[4-(2-methoxyethoxy)butyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[4-(2-methoxyethoxy)butyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[4-(2-methoxyethoxy)butyl]benzenesulfonamide is COCCOCCCCNS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[4-(2-methoxyethoxy)butyl]benzenesulfonamide?
The InChIKey is XXACQIBASBFIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO4S/c1-18-10-11-19-9-5-4-8-15-20(16,17)13-7-3-2-6-12(13)14/h2-3,6-7,15H,4-5,8-11H2,1H3.
What are the key properties of 2-bromo-N-[4-(2-methoxyethoxy)butyl]benzenesulfonamide?
2-bromo-N-[4-(2-methoxyethoxy)butyl]benzenesulfonamide has a molecular weight of 366.28 g/mol, XLogP of 2.17, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(2-methoxyethoxy)butyl]benzenesulfonamide is sourced from PubChem (CID 115600011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).