N-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide

C12H16Cl2N2O2S — CID 93453493

IUPACN-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide
SMILESN[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H16Cl2N2O2S/c13-8-4-3-5-9(14)12(8)19(17,18)16-11-7-2-1-6-10(11)15/h3-5,10-11,16H,1-2,6-7,15H2/t10-,11-/m1/s1
InChIKeyJQPDGQFEEFRHPZ-GHMZBOCLSA-N
MW323.25 g/mol
LogP2.54
Rot. Bonds3

About N-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide

N-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide (PubChem CID 93453493) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide
PubChem CID93453493
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide
SMILESN[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H16Cl2N2O2S/c13-8-4-3-5-9(14)12(8)19(17,18)16-11-7-2-1-6-10(11)15/h3-5,10-11,16H,1-2,6-7,15H2/t10-,11-/m1/s1
InChIKeyJQPDGQFEEFRHPZ-GHMZBOCLSA-N
XLogP2.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocycloheptyl)-2,4,6-trifluorobenzenesulfonamide
CID 63258670
3-N-(2-aminocyclohexyl)benzene-1,3-disulfonamide
CID 61037249
N-(2-aminocyclopentyl)-3,4-dichlorobenzenesulfonamide
CID 63252169
N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide
CID 63258487
N-[2-(aminomethyl)cyclopentyl]-2-chloro-6-fluorobenzenesulfonamide;hydrochloride
CID 120711092
N-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704769
N-(2-aminocyclohexyl)-5-bromo-4-chlorothiophene-2-sulfonamide
CID 80578100
N-[(1S,2S)-2-aminocyclohexyl]-3-(bromomethyl)benzenesulfonamide
CID 97168887
2-amino-6-chloro-N-(2-methoxycyclopentyl)benzenesulfonamide
CID 62087824
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
N-(2-aminocycloheptyl)thiophene-2-sulfonamide
CID 63258931
N-[(1R,2R)-2-aminocyclohexyl]-4-[[4-[[(1S,2S)-2-aminocyclohexyl]sulfamoyl]phenyl]disulfanyl]benzenesulfonamide
CID 58915457

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide (CID 93453493) is N-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide is N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide?
The InChIKey is JQPDGQFEEFRHPZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c13-8-4-3-5-9(14)12(8)19(17,18)16-11-7-2-1-6-10(11)15/h3-5,10-11,16H,1-2,6-7,15H2/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide?
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide has a molecular weight of 323.25 g/mol, XLogP of 2.54, 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]-2,6-dichlorobenzenesulfonamide is sourced from PubChem (CID 93453493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).