2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide

C11H15Br2NO3S — CID 113468348

IUPAC2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(CCBr)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C11H15Br2NO3S/c1-17-9-8-14(7-6-12)18(15,16)11-5-3-2-4-10(11)13/h2-5H,6-9H2,1H3
InChIKeySDJJOZCKKRWLHR-UHFFFAOYSA-N
MW401.12 g/mol
LogP2.48
Rot. Bonds7

About 2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide

2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide (PubChem CID 113468348) has the molecular formula C11H15Br2NO3S and a molecular weight of 401.12 g/mol. Its IUPAC name is 2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide
PubChem CID113468348
Molecular FormulaC11H15Br2NO3S
Molecular Weight401.12 g/mol
Exact Mass398.91
IUPAC Name2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide
SMILESCOCCN(CCBr)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C11H15Br2NO3S/c1-17-9-8-14(7-6-12)18(15,16)11-5-3-2-4-10(11)13/h2-5H,6-9H2,1H3
InChIKeySDJJOZCKKRWLHR-UHFFFAOYSA-N
XLogP2.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.12
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 121085252
N-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide
CID 80676433
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61125699
N-(2-bromoethyl)-2-methyl-N-propylbenzenesulfonamide
CID 80673519
N,N-bis(2-methoxyethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 55512150
2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755429
2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957937
4-amino-3,5-dibromo-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 54465252
N-(2-bromoethyl)-N-butyl-2-chlorobenzenesulfonamide
CID 80668725
methyl 3-[2-methoxyethyl-(2-methylphenyl)sulfonylamino]propanoate
CID 79481278
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 115754224
2-amino-4-bromo-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61126854

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide (CID 113468348) is 2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide is COCCN(CCBr)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide?
The InChIKey is SDJJOZCKKRWLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO3S/c1-17-9-8-14(7-6-12)18(15,16)11-5-3-2-4-10(11)13/h2-5H,6-9H2,1H3.
What are the key properties of 2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide?
2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide has a molecular weight of 401.12 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide is sourced from PubChem (CID 113468348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).