2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide

C13H18Br2N2O2S — CID 107397026

IUPAC2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C13H18Br2N2O2S/c1-2-17(8-9-4-3-5-9)20(18,19)13-11(15)6-10(14)7-12(13)16/h6-7,9H,2-5,8,16H2,1H3
InChIKeyMKRXNLDAIVFYII-UHFFFAOYSA-N
MW426.17 g/mol
LogP3.60
Rot. Bonds5

About 2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide

2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide (PubChem CID 107397026) has the molecular formula C13H18Br2N2O2S and a molecular weight of 426.17 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
PubChem CID107397026
Molecular FormulaC13H18Br2N2O2S
Molecular Weight426.17 g/mol
Exact Mass423.95
IUPAC Name2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
SMILESCCN(CC1CCC1)S(=O)(=O)c1c(N)cc(Br)cc1Br
InChIInChI=1S/C13H18Br2N2O2S/c1-2-17(8-9-4-3-5-9)20(18,19)13-11(15)6-10(14)7-12(13)16/h6-7,9H,2-5,8,16H2,1H3
InChIKeyMKRXNLDAIVFYII-UHFFFAOYSA-N
XLogP3.60
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.17
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107397037
2-amino-4,6-dibromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102991009
4-amino-N-(cyclopropylmethyl)-N-ethyl-2,6-difluorobenzenesulfonamide
CID 63956337
2-amino-4,6-dibromo-N-(2-cyanopropyl)-N-ethylbenzenesulfonamide
CID 61138969
2-amino-4,6-dibromo-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 61111099
2-amino-4,6-dibromo-N-cyclopentyl-N-prop-2-enylbenzenesulfonamide
CID 61114170
2-amino-4,6-dibromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 79304411
4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399642
2-amino-N-(cyclobutylmethyl)-N-ethyl-5-fluorobenzenesulfonamide
CID 107397005
5-amino-N-(cyclobutylmethyl)-N-ethyl-4-fluoro-2-methylbenzenesulfonamide
CID 107397041
5-bromo-2-N-(cyclobutylmethyl)-2-N-ethylpyridine-2,3-diamine
CID 107397165
2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide
CID 43371478

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide (CID 107397026) is 2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide is CCN(CC1CCC1)S(=O)(=O)c1c(N)cc(Br)cc1Br.
What is the InChIKey of 2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide?
The InChIKey is MKRXNLDAIVFYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O2S/c1-2-17(8-9-4-3-5-9)20(18,19)13-11(15)6-10(14)7-12(13)16/h6-7,9H,2-5,8,16H2,1H3.
What are the key properties of 2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide?
2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide has a molecular weight of 426.17 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 107397026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).