4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide

C14H20Br2N2O2S — CID 64733233

IUPAC4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide
SMILESCC1CC(C)CC(NS(=O)(=O)c2c(Br)cc(N)cc2Br)C1
InChIInChI=1S/C14H20Br2N2O2S/c1-8-3-9(2)5-11(4-8)18-21(19,20)14-12(15)6-10(17)7-13(14)16/h6-9,11,18H,3-5,17H2,1-2H3
InChIKeyVTFPGHPMLVUWEI-UHFFFAOYSA-N
MW440.20 g/mol
LogP3.90
Rot. Bonds3

About 4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide

4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide (PubChem CID 64733233) has the molecular formula C14H20Br2N2O2S and a molecular weight of 440.20 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide
PubChem CID64733233
Molecular FormulaC14H20Br2N2O2S
Molecular Weight440.20 g/mol
Exact Mass437.96
IUPAC Name4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide
SMILESCC1CC(C)CC(NS(=O)(=O)c2c(Br)cc(N)cc2Br)C1
InChIInChI=1S/C14H20Br2N2O2S/c1-8-3-9(2)5-11(4-8)18-21(19,20)14-12(15)6-10(17)7-13(14)16/h6-9,11,18H,3-5,17H2,1-2H3
InChIKeyVTFPGHPMLVUWEI-UHFFFAOYSA-N
XLogP3.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.20
LogP ≤ 53.90
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

4-amino-2,6-dibromo-N-cyclooctylbenzenesulfonamide
CID 43258329
4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82725622
4-amino-N-(3,5-dimethylcyclohexyl)-2-fluorobenzenesulfonamide
CID 64732843
4-amino-2,6-difluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114542865
5-amino-N-(3,5-dimethylcyclohexyl)-2-methylbenzenesulfonamide
CID 64732456
2-bromo-4-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 115672165
4-amino-2-chloro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467087
5-amino-3-chloro-2-fluoro-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113467079
3-amino-N-(3,5-dimethylcyclohexyl)-2,5-dimethylbenzenesulfonamide
CID 79885079
4-amino-N-(3-hydroxycyclobutyl)-2,6-dimethylbenzenesulfonamide
CID 79588779
3-amino-2,4-dimethyl-N-(3-methylcyclobutyl)benzenesulfonamide
CID 114240440
4-amino-2,6-dibromo-N-(dicyclopropylmethyl)benzenesulfonamide
CID 61479282

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide (CID 64733233) is 4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide is CC1CC(C)CC(NS(=O)(=O)c2c(Br)cc(N)cc2Br)C1.
What is the InChIKey of 4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide?
The InChIKey is VTFPGHPMLVUWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2O2S/c1-8-3-9(2)5-11(4-8)18-21(19,20)14-12(15)6-10(17)7-13(14)16/h6-9,11,18H,3-5,17H2,1-2H3.
What are the key properties of 4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide?
4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide has a molecular weight of 440.20 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-(3,5-dimethylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 64733233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).