4-amino-2,6-dibromo-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide

C14H20Br2N2O2S — CID 61444933

IUPAC4-amino-2,6-dibromo-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCC(N(C)S(=O)(=O)c2c(Br)cc(N)cc2Br)C1
InChIInChI=1S/C14H20Br2N2O2S/c1-9-4-3-5-11(6-9)18(2)21(19,20)14-12(15)7-10(17)8-13(14)16/h7-9,11H,3-6,17H2,1-2H3
InChIKeyNPAMXZHUEMHWAI-UHFFFAOYSA-N
MW440.20 g/mol
LogP3.99
Rot. Bonds3

About 4-amino-2,6-dibromo-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide

4-amino-2,6-dibromo-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide (PubChem CID 61444933) has the molecular formula C14H20Br2N2O2S and a molecular weight of 440.20 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
PubChem CID61444933
Molecular FormulaC14H20Br2N2O2S
Molecular Weight440.20 g/mol
Exact Mass437.96
IUPAC Name4-amino-2,6-dibromo-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCC(N(C)S(=O)(=O)c2c(Br)cc(N)cc2Br)C1
InChIInChI=1S/C14H20Br2N2O2S/c1-9-4-3-5-11(6-9)18(2)21(19,20)14-12(15)7-10(17)8-13(14)16/h7-9,11H,3-6,17H2,1-2H3
InChIKeyNPAMXZHUEMHWAI-UHFFFAOYSA-N
XLogP3.99
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.20
LogP ≤ 53.99
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-(2-hydroxycyclohexyl)-N-methylbenzenesulfonamide
CID 102631283
2-amino-N,4,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 61444342
4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 103697325
3-amino-N,2,5-trimethyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 79885487
4-amino-2,6-dibromo-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107397037
5-amino-2-methyl-3-[methyl-(3-methylcyclohexyl)amino]benzenesulfonamide
CID 79900084
N,3,5-trimethyl-N-[(1S,3R)-3-methylcyclohexyl]-1,2-oxazole-4-sulfonamide
CID 34136811
N,3,5-trimethyl-N-(3-methylcyclohexyl)-1H-pyrazole-4-sulfonamide
CID 61447746
2,6-difluoro-1-N-methyl-1-N-(3-methylcyclohexyl)benzene-1,4-diamine
CID 61444665
4-amino-2-bromo-N-cyclohexyl-N-methylbenzenesulfonamide
CID 43255875
3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 61446778
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575925

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide (CID 61444933) is 4-amino-2,6-dibromo-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide is CC1CCCC(N(C)S(=O)(=O)c2c(Br)cc(N)cc2Br)C1.
What is the InChIKey of 4-amino-2,6-dibromo-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide?
The InChIKey is NPAMXZHUEMHWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O2S/c1-9-4-3-5-11(6-9)18(2)21(19,20)14-12(15)7-10(17)8-13(14)16/h7-9,11H,3-6,17H2,1-2H3.
What are the key properties of 4-amino-2,6-dibromo-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide?
4-amino-2,6-dibromo-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide has a molecular weight of 440.20 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 61444933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).