2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide

C13H18Br2N2O2S — CID 43371478

IUPAC2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide
SMILESNc1cc(Br)cc(Br)c1S(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C13H18Br2N2O2S/c14-10-6-11(15)13(12(16)7-10)20(18,19)17-8-9-4-2-1-3-5-9/h6-7,9,17H,1-5,8,16H2
InChIKeyWNZFMDRQMSZPJK-UHFFFAOYSA-N
MW426.17 g/mol
LogP3.65
Rot. Bonds4

About 2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide

2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide (PubChem CID 43371478) has the molecular formula C13H18Br2N2O2S and a molecular weight of 426.17 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide
PubChem CID43371478
Molecular FormulaC13H18Br2N2O2S
Molecular Weight426.17 g/mol
Exact Mass423.95
IUPAC Name2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide
SMILESNc1cc(Br)cc(Br)c1S(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C13H18Br2N2O2S/c14-10-6-11(15)13(12(16)7-10)20(18,19)17-8-9-4-2-1-3-5-9/h6-7,9,17H,1-5,8,16H2
InChIKeyWNZFMDRQMSZPJK-UHFFFAOYSA-N
XLogP3.65
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.17
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,6-dibromo-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106119165
2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213586
2-amino-4,6-dibromo-N-(2-methoxy-2-methylpropyl)benzenesulfonamide
CID 104758514
3-amino-2-bromo-5-chloro-N-(cyclohexylmethyl)benzenesulfonamide
CID 62955309
4-bromo-2,6-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 60727630
2-amino-4,6-dibromo-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 61125249
2-amino-4,6-dibromo-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 93081235
2-[(2-amino-4,6-dibromophenyl)sulfonylamino]-N-methylacetamide
CID 43310321
2-amino-4,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107397026
3-amino-5-chloro-N-(cyclohexylmethyl)-4-methylbenzenesulfonamide
CID 43371503
2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861380
2-amino-4,6-dibromo-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62635948

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide (CID 43371478) is 2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide is Nc1cc(Br)cc(Br)c1S(=O)(=O)NCC1CCCCC1.
What is the InChIKey of 2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide?
The InChIKey is WNZFMDRQMSZPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O2S/c14-10-6-11(15)13(12(16)7-10)20(18,19)17-8-9-4-2-1-3-5-9/h6-7,9,17H,1-5,8,16H2.
What are the key properties of 2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide?
2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide has a molecular weight of 426.17 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide is sourced from PubChem (CID 43371478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).