4-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride

C24H28Cl2N2O2S — CID 45265860

IUPAC4-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride
SMILESCC(N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1)c1cccc2ccccc12.Cl
InChIInChI=1S/C24H27ClN2O2S.ClH/c1-17(21-10-6-8-18-7-2-3-9-22(18)21)26-23-11-4-5-12-24(23)27-30(28,29)20-15-13-19(25)14-16-20;/h2-3,6-10,13-17,23-24,26-27H,4-5,11-12H2,1H3;1H/t17?,23-,24-;/m1./s1
InChIKeyHAXNVNVAHYTXCU-NSCKWKRSSA-N
MW479.47 g/mol
LogP5.86
Rot. Bonds6

About 4-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride

4-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride (PubChem CID 45265860) has the molecular formula C24H28Cl2N2O2S and a molecular weight of 479.47 g/mol. Its IUPAC name is 4-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride
PubChem CID45265860
Molecular FormulaC24H28Cl2N2O2S
Molecular Weight479.47 g/mol
Exact Mass478.12
IUPAC Name4-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride
SMILESCC(N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1)c1cccc2ccccc12.Cl
InChIInChI=1S/C24H27ClN2O2S.ClH/c1-17(21-10-6-8-18-7-2-3-9-22(18)21)26-23-11-4-5-12-24(23)27-30(28,29)20-15-13-19(25)14-16-20;/h2-3,6-10,13-17,23-24,26-27H,4-5,11-12H2,1H3;1H/t17?,23-,24-;/m1./s1
InChIKeyHAXNVNVAHYTXCU-NSCKWKRSSA-N
XLogP5.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.47
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride (CID 45265860) is 4-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride is CC(N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)cc1)c1cccc2ccccc12.Cl.
What is the InChIKey of 4-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride?
The InChIKey is HAXNVNVAHYTXCU-NSCKWKRSSA-N. The full InChI is InChI=1S/C24H27ClN2O2S.ClH/c1-17(21-10-6-8-18-7-2-3-9-22(18)21)26-23-11-4-5-12-24(23)27-30(28,29)20-15-13-19(25)14-16-20;/h2-3,6-10,13-17,23-24,26-27H,4-5,11-12H2,1H3;1H/t17?,23-,24-;/m1./s1.
What are the key properties of 4-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride?
4-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride has a molecular weight of 479.47 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 45265860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).