2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide

C12H16Br2N2O3S — CID 107213586

IUPAC2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
SMILESNc1cc(Br)cc(Br)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H16Br2N2O3S/c13-7-5-8(14)12(9(15)6-7)20(18,19)16-10-3-1-2-4-11(10)17/h5-6,10-11,16-17H,1-4,15H2/t10-,11-/m1/s1
InChIKeyVRDAAYUGYVTLLT-GHMZBOCLSA-N
MW428.15 g/mol
LogP2.38
Rot. Bonds3

About 2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide

2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide (PubChem CID 107213586) has the molecular formula C12H16Br2N2O3S and a molecular weight of 428.15 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
PubChem CID107213586
Molecular FormulaC12H16Br2N2O3S
Molecular Weight428.15 g/mol
Exact Mass425.92
IUPAC Name2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
SMILESNc1cc(Br)cc(Br)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C12H16Br2N2O3S/c13-7-5-8(14)12(9(15)6-7)20(18,19)16-10-3-1-2-4-11(10)17/h5-6,10-11,16-17H,1-4,15H2/t10-,11-/m1/s1
InChIKeyVRDAAYUGYVTLLT-GHMZBOCLSA-N
XLogP2.38
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.15
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 115329229
3-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,5,6-trimethylbenzenesulfonamide
CID 107213471
2-amino-4,6-dibromo-N-(cyclohexylmethyl)benzenesulfonamide
CID 43371478
2-amino-4,6-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861380
5-amino-2,4-difluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213623
5-amino-4-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-2-methoxybenzenesulfonamide
CID 107213517
2-amino-N-(2-hydroxycyclohexyl)-4-methylbenzenesulfonamide
CID 55063930
4-amino-2-fluoro-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213542
6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide
CID 107213458
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,6-trimethylbenzenesulfonamide
CID 104953218
5-amino-2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methylbenzenesulfonamide
CID 107213615
2-amino-4,6-dibromo-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106119165

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide (CID 107213586) is 2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide is Nc1cc(Br)cc(Br)c1S(=O)(=O)N[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide?
The InChIKey is VRDAAYUGYVTLLT-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H16Br2N2O3S/c13-7-5-8(14)12(9(15)6-7)20(18,19)16-10-3-1-2-4-11(10)17/h5-6,10-11,16-17H,1-4,15H2/t10-,11-/m1/s1.
What are the key properties of 2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide?
2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide has a molecular weight of 428.15 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromo-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide is sourced from PubChem (CID 107213586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).