N-(2-bromoethyl)-3,5-dichloro-N-propylbenzenesulfonamide

C11H14BrCl2NO2S — CID 80672478

IUPACN-(2-bromoethyl)-3,5-dichloro-N-propylbenzenesulfonamide
SMILESCCCN(CCBr)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14BrCl2NO2S/c1-2-4-15(5-3-12)18(16,17)11-7-9(13)6-10(14)8-11/h6-8H,2-5H2,1H3
InChIKeyOXHOXYRMAMNRON-UHFFFAOYSA-N
MW375.12 g/mol
LogP3.79
Rot. Bonds6

About N-(2-bromoethyl)-3,5-dichloro-N-propylbenzenesulfonamide

N-(2-bromoethyl)-3,5-dichloro-N-propylbenzenesulfonamide (PubChem CID 80672478) has the molecular formula C11H14BrCl2NO2S and a molecular weight of 375.12 g/mol. Its IUPAC name is N-(2-bromoethyl)-3,5-dichloro-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-3,5-dichloro-N-propylbenzenesulfonamide
PubChem CID80672478
Molecular FormulaC11H14BrCl2NO2S
Molecular Weight375.12 g/mol
Exact Mass372.93
IUPAC NameN-(2-bromoethyl)-3,5-dichloro-N-propylbenzenesulfonamide
SMILESCCCN(CCBr)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14BrCl2NO2S/c1-2-4-15(5-3-12)18(16,17)11-7-9(13)6-10(14)8-11/h6-8H,2-5H2,1H3
InChIKeyOXHOXYRMAMNRON-UHFFFAOYSA-N
XLogP3.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.12
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3,5-dichloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448011
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-propylbenzenesulfonamide
CID 79664332
3,5-dichloro-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755430
N-(2-bromoethyl)-N-propyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 80672872
N-(2-bromoethyl)-N-butyl-2,5-dichlorobenzenesulfonamide
CID 80669261
N-(2-bromoethyl)-2,4-dimethyl-N-propylbenzenesulfonamide
CID 80672779
4-(dipropylsulfamoyl)benzenesulfonyl chloride
CID 154093021
5-bromo-N-(2-bromoethyl)-2-methyl-N-propylthiophene-3-sulfonamide
CID 80673410
N-(azetidin-3-yl)-3,5-dichloro-N-propylbenzenesulfonamide
CID 66215475
4-bromo-2,6-dichloro-N,N-dipropylbenzenesulfonamide
CID 60639771
N-(2-bromoethyl)-2-methyl-N-propylbenzenesulfonamide
CID 80673519
N,N-dipropylbenzenesulfonamide
CID 4053954

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-3,5-dichloro-N-propylbenzenesulfonamide?
The IUPAC name of N-(2-bromoethyl)-3,5-dichloro-N-propylbenzenesulfonamide (CID 80672478) is N-(2-bromoethyl)-3,5-dichloro-N-propylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-3,5-dichloro-N-propylbenzenesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-3,5-dichloro-N-propylbenzenesulfonamide is CCCN(CCBr)S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-(2-bromoethyl)-3,5-dichloro-N-propylbenzenesulfonamide?
The InChIKey is OXHOXYRMAMNRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrCl2NO2S/c1-2-4-15(5-3-12)18(16,17)11-7-9(13)6-10(14)8-11/h6-8H,2-5H2,1H3.
What are the key properties of N-(2-bromoethyl)-3,5-dichloro-N-propylbenzenesulfonamide?
N-(2-bromoethyl)-3,5-dichloro-N-propylbenzenesulfonamide has a molecular weight of 375.12 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-3,5-dichloro-N-propylbenzenesulfonamide is sourced from PubChem (CID 80672478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).