N-[2-(2-bromoethoxy)ethyl]-2,5-dichloro-N-methylbenzenesulfonamide

C11H14BrCl2NO3S — CID 114242902

IUPACN-[2-(2-bromoethoxy)ethyl]-2,5-dichloro-N-methylbenzenesulfonamide
SMILESCN(CCOCCBr)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14BrCl2NO3S/c1-15(5-7-18-6-4-12)19(16,17)11-8-9(13)2-3-10(11)14/h2-3,8H,4-7H2,1H3
InChIKeyDFYLIOOPZFQZBC-UHFFFAOYSA-N
MW391.11 g/mol
LogP3.03
Rot. Bonds7

About N-[2-(2-bromoethoxy)ethyl]-2,5-dichloro-N-methylbenzenesulfonamide

N-[2-(2-bromoethoxy)ethyl]-2,5-dichloro-N-methylbenzenesulfonamide (PubChem CID 114242902) has the molecular formula C11H14BrCl2NO3S and a molecular weight of 391.11 g/mol. Its IUPAC name is N-[2-(2-bromoethoxy)ethyl]-2,5-dichloro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-bromoethoxy)ethyl]-2,5-dichloro-N-methylbenzenesulfonamide
PubChem CID114242902
Molecular FormulaC11H14BrCl2NO3S
Molecular Weight391.11 g/mol
Exact Mass388.93
IUPAC NameN-[2-(2-bromoethoxy)ethyl]-2,5-dichloro-N-methylbenzenesulfonamide
SMILESCN(CCOCCBr)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H14BrCl2NO3S/c1-15(5-7-18-6-4-12)19(16,17)11-8-9(13)2-3-10(11)14/h2-3,8H,4-7H2,1H3
InChIKeyDFYLIOOPZFQZBC-UHFFFAOYSA-N
XLogP3.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.11
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-bromoethoxy)ethyl]-2-fluoro-N-methylbenzenesulfonamide
CID 114242897
2-amino-4-chloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81053351
3-[(2,5-dichlorophenyl)sulfonyl-methylamino]propanethioamide
CID 43344046
4-[(2,5-dichlorophenyl)sulfonyl-methylamino]butanoic acid
CID 43235943
N-(2-bromoethyl)-N-butyl-2,5-dichlorobenzenesulfonamide
CID 80669261
2,5-dichloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679062
2-chloro-N-(2-methoxyethyl)-N-methyl-5-nitrobenzenesulfonamide
CID 61045808
2,5-dichloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 4789845
4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide
CID 106441744
2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide
CID 100507274
2,5-dichloro-N-(2-chloroethyl)-N-propan-2-ylbenzenesulfonamide
CID 55188022
2-[2-[(2,3-dichlorophenyl)sulfonyl-methylamino]ethoxy]acetic acid
CID 69321042

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethoxy)ethyl]-2,5-dichloro-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2-bromoethoxy)ethyl]-2,5-dichloro-N-methylbenzenesulfonamide (CID 114242902) is N-[2-(2-bromoethoxy)ethyl]-2,5-dichloro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-bromoethoxy)ethyl]-2,5-dichloro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-bromoethoxy)ethyl]-2,5-dichloro-N-methylbenzenesulfonamide is CN(CCOCCBr)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[2-(2-bromoethoxy)ethyl]-2,5-dichloro-N-methylbenzenesulfonamide?
The InChIKey is DFYLIOOPZFQZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl2NO3S/c1-15(5-7-18-6-4-12)19(16,17)11-8-9(13)2-3-10(11)14/h2-3,8H,4-7H2,1H3.
What are the key properties of N-[2-(2-bromoethoxy)ethyl]-2,5-dichloro-N-methylbenzenesulfonamide?
N-[2-(2-bromoethoxy)ethyl]-2,5-dichloro-N-methylbenzenesulfonamide has a molecular weight of 391.11 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethoxy)ethyl]-2,5-dichloro-N-methylbenzenesulfonamide is sourced from PubChem (CID 114242902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).