3,4-dichloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide

C24H26Cl2N2O2S — CID 11849517

IUPAC3,4-dichloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide
SMILESCC(N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C24H26Cl2N2O2S/c1-16(19-10-6-8-17-7-2-3-9-20(17)19)27-23-11-4-5-12-24(23)28-31(29,30)18-13-14-21(25)22(26)15-18/h2-3,6-10,13-16,23-24,27-28H,4-5,11-12H2,1H3/t16?,23-,24-/m1/s1
InChIKeyZFLDWLZORARQEQ-CWXSLIKZSA-N
MW477.46 g/mol
LogP6.09
Rot. Bonds6

About 3,4-dichloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide

3,4-dichloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide (PubChem CID 11849517) has the molecular formula C24H26Cl2N2O2S and a molecular weight of 477.46 g/mol. Its IUPAC name is 3,4-dichloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide
PubChem CID11849517
Molecular FormulaC24H26Cl2N2O2S
Molecular Weight477.46 g/mol
Exact Mass476.11
IUPAC Name3,4-dichloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide
SMILESCC(N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C24H26Cl2N2O2S/c1-16(19-10-6-8-17-7-2-3-9-20(17)19)27-23-11-4-5-12-24(23)28-31(29,30)18-13-14-21(25)22(26)15-18/h2-3,6-10,13-16,23-24,27-28H,4-5,11-12H2,1H3/t16?,23-,24-/m1/s1
InChIKeyZFLDWLZORARQEQ-CWXSLIKZSA-N
XLogP6.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.46
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide (CID 11849517) is 3,4-dichloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide is CC(N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12.
What is the InChIKey of 3,4-dichloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide?
The InChIKey is ZFLDWLZORARQEQ-CWXSLIKZSA-N. The full InChI is InChI=1S/C24H26Cl2N2O2S/c1-16(19-10-6-8-17-7-2-3-9-20(17)19)27-23-11-4-5-12-24(23)28-31(29,30)18-13-14-21(25)22(26)15-18/h2-3,6-10,13-16,23-24,27-28H,4-5,11-12H2,1H3/t16?,23-,24-/m1/s1.
What are the key properties of 3,4-dichloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide?
3,4-dichloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide has a molecular weight of 477.46 g/mol, XLogP of 6.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide is sourced from PubChem (CID 11849517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).