5-bromo-N-(2-bromoethyl)-2-methyl-N-propylthiophene-3-sulfonamide

C10H15Br2NO2S2 — CID 80673410

IUPAC5-bromo-N-(2-bromoethyl)-2-methyl-N-propylthiophene-3-sulfonamide
SMILESCCCN(CCBr)S(=O)(=O)c1cc(Br)sc1C
InChIInChI=1S/C10H15Br2NO2S2/c1-3-5-13(6-4-11)17(14,15)9-7-10(12)16-8(9)2/h7H,3-6H2,1-2H3
InChIKeyATSRGQWZCAYQHV-UHFFFAOYSA-N
MW405.18 g/mol
LogP3.61
Rot. Bonds6

About 5-bromo-N-(2-bromoethyl)-2-methyl-N-propylthiophene-3-sulfonamide

5-bromo-N-(2-bromoethyl)-2-methyl-N-propylthiophene-3-sulfonamide (PubChem CID 80673410) has the molecular formula C10H15Br2NO2S2 and a molecular weight of 405.18 g/mol. Its IUPAC name is 5-bromo-N-(2-bromoethyl)-2-methyl-N-propylthiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromoethyl)-2-methyl-N-propylthiophene-3-sulfonamide
PubChem CID80673410
Molecular FormulaC10H15Br2NO2S2
Molecular Weight405.18 g/mol
Exact Mass402.89
IUPAC Name5-bromo-N-(2-bromoethyl)-2-methyl-N-propylthiophene-3-sulfonamide
SMILESCCCN(CCBr)S(=O)(=O)c1cc(Br)sc1C
InChIInChI=1S/C10H15Br2NO2S2/c1-3-5-13(6-4-11)17(14,15)9-7-10(12)16-8(9)2/h7H,3-6H2,1-2H3
InChIKeyATSRGQWZCAYQHV-UHFFFAOYSA-N
XLogP3.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.18
LogP ≤ 53.61
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

N-(2-bromoethyl)-2,4-dimethyl-N-propylbenzenesulfonamide
CID 80672779
2-[(5-bromo-2-methylthiophen-3-yl)sulfonyl-ethylamino]acetamide
CID 103103884
N-(2-bromoethyl)-2-methyl-N-propylbenzenesulfonamide
CID 80673519
5-bromo-N,2-dimethyl-N-[2-(methylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
CID 120718077
N-(2-bromoethyl)-3,5-dichloro-N-propylbenzenesulfonamide
CID 80672478
2,5-dibromo-N-ethyl-N-(2-hydroxyethyl)thiophene-3-sulfonamide
CID 60956798
2-bromo-5-(chloromethyl)-3-methyl-N,N-dipropylbenzenesulfonamide
CID 114363367
N-(2-bromoethyl)-2-methyl-N-propyl-1H-imidazole-5-sulfonamide
CID 80673300
5-bromo-N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-methylthiophene-3-sulfonamide
CID 107868332
2,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylthiophene-3-sulfonamide
CID 79701384
5-methyl-4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]thiophene-2-carboxylic acid
CID 63329047
5-bromo-2-methyl-N-[2-(propylamino)ethyl]thiophene-3-sulfonamide;hydrochloride
CID 120716056

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromoethyl)-2-methyl-N-propylthiophene-3-sulfonamide?
The IUPAC name of 5-bromo-N-(2-bromoethyl)-2-methyl-N-propylthiophene-3-sulfonamide (CID 80673410) is 5-bromo-N-(2-bromoethyl)-2-methyl-N-propylthiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2-bromoethyl)-2-methyl-N-propylthiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-N-(2-bromoethyl)-2-methyl-N-propylthiophene-3-sulfonamide is CCCN(CCBr)S(=O)(=O)c1cc(Br)sc1C.
What is the InChIKey of 5-bromo-N-(2-bromoethyl)-2-methyl-N-propylthiophene-3-sulfonamide?
The InChIKey is ATSRGQWZCAYQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Br2NO2S2/c1-3-5-13(6-4-11)17(14,15)9-7-10(12)16-8(9)2/h7H,3-6H2,1-2H3.
What are the key properties of 5-bromo-N-(2-bromoethyl)-2-methyl-N-propylthiophene-3-sulfonamide?
5-bromo-N-(2-bromoethyl)-2-methyl-N-propylthiophene-3-sulfonamide has a molecular weight of 405.18 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromoethyl)-2-methyl-N-propylthiophene-3-sulfonamide is sourced from PubChem (CID 80673410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).