N-[2-(2-bromoethoxy)ethyl]-3-chlorobenzenesulfonamide

C10H13BrClNO3S — CID 114296046

IUPACN-[2-(2-bromoethoxy)ethyl]-3-chlorobenzenesulfonamide
SMILESO=S(=O)(NCCOCCBr)c1cccc(Cl)c1
InChIInChI=1S/C10H13BrClNO3S/c11-4-6-16-7-5-13-17(14,15)10-3-1-2-9(12)8-10/h1-3,8,13H,4-7H2
InChIKeyJVEZBLGMDDDGHE-UHFFFAOYSA-N
MW342.64 g/mol
LogP2.03
Rot. Bonds7

About N-[2-(2-bromoethoxy)ethyl]-3-chlorobenzenesulfonamide

N-[2-(2-bromoethoxy)ethyl]-3-chlorobenzenesulfonamide (PubChem CID 114296046) has the molecular formula C10H13BrClNO3S and a molecular weight of 342.64 g/mol. Its IUPAC name is N-[2-(2-bromoethoxy)ethyl]-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-bromoethoxy)ethyl]-3-chlorobenzenesulfonamide
PubChem CID114296046
Molecular FormulaC10H13BrClNO3S
Molecular Weight342.64 g/mol
Exact Mass340.95
IUPAC NameN-[2-(2-bromoethoxy)ethyl]-3-chlorobenzenesulfonamide
SMILESO=S(=O)(NCCOCCBr)c1cccc(Cl)c1
InChIInChI=1S/C10H13BrClNO3S/c11-4-6-16-7-5-13-17(14,15)10-3-1-2-9(12)8-10/h1-3,8,13H,4-7H2
InChIKeyJVEZBLGMDDDGHE-UHFFFAOYSA-N
XLogP2.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 52.03
H-Bond Donors ≤ 51
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]-3-methylbenzenesulfonamide
CID 114295997
N-[2-(4-bromophenoxy)ethyl]-3-chlorobenzenesulfonamide
CID 113099755
1-(3-chlorophenyl)sulfonyl-3-[2-[2-[(3-chlorophenyl)sulfonylcarbamoylamino]ethoxy]ethyl]urea
CID 44587806
3-chloro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101307
N-[2-(2-bromoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 114295990
N-(3-aminopropyl)-3-chlorobenzenesulfonamide;hydrochloride
CID 119962046
3-chloro-N-(5-iodopentyl)benzenesulfonamide
CID 107322870
3-chloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605915
3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 69467627
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
1-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-(2-ethoxyethyl)-2-methylguanidine
CID 111894153

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethoxy)ethyl]-3-chlorobenzenesulfonamide?
The IUPAC name of N-[2-(2-bromoethoxy)ethyl]-3-chlorobenzenesulfonamide (CID 114296046) is N-[2-(2-bromoethoxy)ethyl]-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-[2-(2-bromoethoxy)ethyl]-3-chlorobenzenesulfonamide?
The canonical SMILES for N-[2-(2-bromoethoxy)ethyl]-3-chlorobenzenesulfonamide is O=S(=O)(NCCOCCBr)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(2-bromoethoxy)ethyl]-3-chlorobenzenesulfonamide?
The InChIKey is JVEZBLGMDDDGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO3S/c11-4-6-16-7-5-13-17(14,15)10-3-1-2-9(12)8-10/h1-3,8,13H,4-7H2.
What are the key properties of N-[2-(2-bromoethoxy)ethyl]-3-chlorobenzenesulfonamide?
N-[2-(2-bromoethoxy)ethyl]-3-chlorobenzenesulfonamide has a molecular weight of 342.64 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethoxy)ethyl]-3-chlorobenzenesulfonamide is sourced from PubChem (CID 114296046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).