2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide

C13H20Br2N2O2S — CID 103190536

IUPAC2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H20Br2N2O2S/c1-5-17(10(2)9-16(3)4)20(18,19)13-8-11(14)6-7-12(13)15/h6-8,10H,5,9H2,1-4H3
InChIKeyOJDXXCLAKAAKRY-UHFFFAOYSA-N
MW428.19 g/mol
LogP3.17
Rot. Bonds6

About 2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide

2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide (PubChem CID 103190536) has the molecular formula C13H20Br2N2O2S and a molecular weight of 428.19 g/mol. Its IUPAC name is 2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
PubChem CID103190536
Molecular FormulaC13H20Br2N2O2S
Molecular Weight428.19 g/mol
Exact Mass425.96
IUPAC Name2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C13H20Br2N2O2S/c1-5-17(10(2)9-16(3)4)20(18,19)13-8-11(14)6-7-12(13)15/h6-8,10H,5,9H2,1-4H3
InChIKeyOJDXXCLAKAAKRY-UHFFFAOYSA-N
XLogP3.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.19
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide
CID 103190530
4-(aminomethyl)-2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103192333
4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-fluorobenzenesulfonamide
CID 103270437
2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)furan-3-sulfonamide
CID 103192203
2,5-dibromo-N,N-di(propan-2-yl)benzenesulfonamide
CID 66619434
2,5-dibromo-N-(3-bromopropyl)-N-propan-2-ylbenzenesulfonamide
CID 80672347
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]benzenesulfonamide
CID 82950147
3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 106546875
2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(methylaminomethyl)furan-3-sulfonamide
CID 103192351
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700203
5-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
CID 103187524
2,5-dibromo-N-(2-chloroethyl)-N-pentan-3-ylbenzenesulfonamide
CID 63400840

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide (CID 103190536) is 2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide is CCN(C(C)CN(C)C)S(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide?
The InChIKey is OJDXXCLAKAAKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Br2N2O2S/c1-5-17(10(2)9-16(3)4)20(18,19)13-8-11(14)6-7-12(13)15/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide?
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide has a molecular weight of 428.19 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 103190536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).