N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide

C12H16Br2N2O2S — CID 93453140

IUPACN-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide
SMILESN[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H16Br2N2O2S/c13-8-5-6-12(9(14)7-8)19(17,18)16-11-4-2-1-3-10(11)15/h5-7,10-11,16H,1-4,15H2/t10-,11-/m1/s1
InChIKeyBKTSVXJDOPOGBX-GHMZBOCLSA-N
MW412.15 g/mol
LogP2.76
Rot. Bonds3

About N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide

N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide (PubChem CID 93453140) has the molecular formula C12H16Br2N2O2S and a molecular weight of 412.15 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide
PubChem CID93453140
Molecular FormulaC12H16Br2N2O2S
Molecular Weight412.15 g/mol
Exact Mass409.93
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide
SMILESN[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1Br
InChIInChI=1S/C12H16Br2N2O2S/c13-8-5-6-12(9(14)7-8)19(17,18)16-11-4-2-1-3-10(11)15/h5-7,10-11,16H,1-4,15H2/t10-,11-/m1/s1
InChIKeyBKTSVXJDOPOGBX-GHMZBOCLSA-N
XLogP2.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.15
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide
CID 61038243
N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide
CID 63258487
2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82736291
3-[(2-aminocyclohexyl)sulfamoyl]-4-bromobenzoic acid
CID 61404616
N-(2-aminocyclopropyl)-2,5-dibromobenzenesulfonamide
CID 43596915
N-[(1R,2R)-2-aminocyclohexyl]-2,3,4-trifluorobenzenesulfonamide
CID 93453513
2,4-dibromo-N-(thian-3-yl)benzenesulfonamide
CID 113250007
4-amino-2-bromo-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43256037
3-N-(2-aminocyclohexyl)benzene-1,3-disulfonamide
CID 61037249
2-bromo-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104953223
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 116527714
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dibromobenzenesulfonamide
CID 61233306

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide (CID 93453140) is N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide is N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1Br.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide?
The InChIKey is BKTSVXJDOPOGBX-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H16Br2N2O2S/c13-8-5-6-12(9(14)7-8)19(17,18)16-11-4-2-1-3-10(11)15/h5-7,10-11,16H,1-4,15H2/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide?
N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide has a molecular weight of 412.15 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide is sourced from PubChem (CID 93453140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).