4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

C13H18Br2N2O3S — CID 61434089

IUPAC4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C13H18Br2N2O3S/c1-2-17(8-10-4-3-5-20-10)21(18,19)13-11(14)6-9(16)7-12(13)15/h6-7,10H,2-5,8,16H2,1H3
InChIKeySPDGXPAGRHJRMO-UHFFFAOYSA-N
MW442.17 g/mol
LogP2.98
Rot. Bonds5

About 4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide

4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 61434089) has the molecular formula C13H18Br2N2O3S and a molecular weight of 442.17 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID61434089
Molecular FormulaC13H18Br2N2O3S
Molecular Weight442.17 g/mol
Exact Mass439.94
IUPAC Name4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C13H18Br2N2O3S/c1-2-17(8-10-4-3-5-20-10)21(18,19)13-11(14)6-9(16)7-12(13)15/h6-7,10H,2-5,8,16H2,1H3
InChIKeySPDGXPAGRHJRMO-UHFFFAOYSA-N
XLogP2.98
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.17
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61433419
6-amino-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 64602639
3-[ethyl(oxolan-2-ylmethyl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102748534
2-[(4-amino-2,6-dibromophenyl)sulfonyl-ethylamino]acetamide
CID 103101045
2-[ethyl(oxolan-2-ylmethyl)sulfamoyl]benzoic acid
CID 61434279
4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide
CID 63956337
3-amino-N-ethyl-N-(oxolan-2-ylmethyl)propane-1-sulfonamide
CID 61435361
2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107397026
5-chloro-N-ethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-sulfonamide
CID 64606943
3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 94198707
N-ethyl-N-(oxolan-2-ylmethyl)-2-phenylbenzenesulfonamide
CID 51127502
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 62157823

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 61434089) is 4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is CCN(CC1CCCO1)S(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is SPDGXPAGRHJRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O3S/c1-2-17(8-10-4-3-5-20-10)21(18,19)13-11(14)6-9(16)7-12(13)15/h6-7,10H,2-5,8,16H2,1H3.
What are the key properties of 4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide?
4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 442.17 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61434089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).