4-amino-2,6-dibromo-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide

C13H18Br2N2O3S — CID 102631283

IUPAC4-amino-2,6-dibromo-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1O)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C13H18Br2N2O3S/c1-17(11-4-2-3-5-12(11)18)21(19,20)13-9(14)6-8(16)7-10(13)15/h6-7,11-12,18H,2-5,16H2,1H3
InChIKeyDWLUETZRXJNIFF-UHFFFAOYSA-N
MW442.17 g/mol
LogP2.72
Rot. Bonds3

About 4-amino-2,6-dibromo-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide

4-amino-2,6-dibromo-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide (PubChem CID 102631283) has the molecular formula C13H18Br2N2O3S and a molecular weight of 442.17 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
PubChem CID102631283
Molecular FormulaC13H18Br2N2O3S
Molecular Weight442.17 g/mol
Exact Mass439.94
IUPAC Name4-amino-2,6-dibromo-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1O)S(=O)(=O)c1c(Br)cc(N)cc1Br
InChIInChI=1S/C13H18Br2N2O3S/c1-17(11-4-2-3-5-12(11)18)21(19,20)13-9(14)6-8(16)7-10(13)15/h6-7,11-12,18H,2-5,16H2,1H3
InChIKeyDWLUETZRXJNIFF-UHFFFAOYSA-N
XLogP2.72
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.17
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dibromo-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 61444933
3-amino-5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102631263
3-amino-N-(2-hydroxycyclohexyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 102631233
5-bromo-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102635699
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102635766
3-amino-5-chloro-N-(2-hydroxycyclohexyl)-N,2-dimethylbenzenesulfonamide
CID 102631244
4-amino-2,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107397037
5-bromo-2-hydrazinyl-N-(2-hydroxycyclohexyl)-N-methylpyridine-3-sulfonamide
CID 102632674
5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide
CID 102635646
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575925
1-(4-aminophenyl)-N-(2-hydroxycyclohexyl)-N-methylmethanesulfonamide
CID 102631235
5-amino-2-[(2-hydroxycyclohexyl)-methylamino]benzenesulfonamide
CID 102631363

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide (CID 102631283) is 4-amino-2,6-dibromo-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide is CN(C1CCCCC1O)S(=O)(=O)c1c(Br)cc(N)cc1Br.
What is the InChIKey of 4-amino-2,6-dibromo-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide?
The InChIKey is DWLUETZRXJNIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Br2N2O3S/c1-17(11-4-2-3-5-12(11)18)21(19,20)13-9(14)6-8(16)7-10(13)15/h6-7,11-12,18H,2-5,16H2,1H3.
What are the key properties of 4-amino-2,6-dibromo-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide?
4-amino-2,6-dibromo-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide has a molecular weight of 442.17 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 102631283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).