N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide

C11H16Br2N2O2S — CID 114142503

IUPACN-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C11H16Br2N2O2S/c1-2-14-7-4-8-18(16,17)15-11-9(12)5-3-6-10(11)13/h3,5-6,14-15H,2,4,7-8H2,1H3
InChIKeyGSWFSOCBIPHUDE-UHFFFAOYSA-N
MW400.14 g/mol
LogP2.95
Rot. Bonds7

About N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide

N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide (PubChem CID 114142503) has the molecular formula C11H16Br2N2O2S and a molecular weight of 400.14 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide
PubChem CID114142503
Molecular FormulaC11H16Br2N2O2S
Molecular Weight400.14 g/mol
Exact Mass397.93
IUPAC NameN-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C11H16Br2N2O2S/c1-2-14-7-4-8-18(16,17)15-11-9(12)5-3-6-10(11)13/h3,5-6,14-15H,2,4,7-8H2,1H3
InChIKeyGSWFSOCBIPHUDE-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.14
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dibromophenyl)-3-(propylamino)propane-1-sulfonamide
CID 106088845
4-(ethylamino)-N-(2,4,6-tribromophenyl)butane-1-sulfonamide
CID 106002477
N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106089645
4-chloro-N-(2,6-dibromophenyl)butane-1-sulfonamide
CID 107602655
N-(3-bromo-2-pyridinyl)-4-(ethylamino)butane-1-sulfonamide
CID 106062119
3-(propylamino)-N-(2,4,6-tribromophenyl)propane-1-sulfonamide
CID 106002412
4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide
CID 106083705
N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106067092
N-(2-bromo-4,6-dimethylphenyl)-4-(ethylamino)butane-1-sulfonamide
CID 106072927
3-(ethylamino)-N-(6-methyl-2-pyridinyl)propane-1-sulfonamide
CID 106086909
N-(2-bromo-6-fluorophenyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107601145
1-bromo-N-(2,6-dibromophenyl)methanesulfonamide
CID 107602651

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide?
The IUPAC name of N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide (CID 114142503) is N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide.
What is the SMILES notation for N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide?
The canonical SMILES for N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide is CCNCCCS(=O)(=O)Nc1c(Br)cccc1Br.
What is the InChIKey of N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide?
The InChIKey is GSWFSOCBIPHUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Br2N2O2S/c1-2-14-7-4-8-18(16,17)15-11-9(12)5-3-6-10(11)13/h3,5-6,14-15H,2,4,7-8H2,1H3.
What are the key properties of N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide?
N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide has a molecular weight of 400.14 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-3-(ethylamino)propane-1-sulfonamide is sourced from PubChem (CID 114142503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).