2,5-dimethoxy-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride

C26H33ClN2O4S — CID 11849518

IUPAC2,5-dimethoxy-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride
SMILESCOc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2NC(C)c2cccc3ccccc23)c1.Cl
InChIInChI=1S/C26H32N2O4S.ClH/c1-18(21-12-8-10-19-9-4-5-11-22(19)21)27-23-13-6-7-14-24(23)28-33(29,30)26-17-20(31-2)15-16-25(26)32-3;/h4-5,8-12,15-18,23-24,27-28H,6-7,13-14H2,1-3H3;1H/t18?,23-,24-;/m1./s1
InChIKeyADUJPSGJVCXFSY-ACOCUZPYSA-N
MW505.08 g/mol
LogP5.22
Rot. Bonds8

About 2,5-dimethoxy-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride

2,5-dimethoxy-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride (PubChem CID 11849518) has the molecular formula C26H33ClN2O4S and a molecular weight of 505.08 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2,5-dimethoxy-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride
PubChem CID11849518
Molecular FormulaC26H33ClN2O4S
Molecular Weight505.08 g/mol
Exact Mass504.18
IUPAC Name2,5-dimethoxy-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride
SMILESCOc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2NC(C)c2cccc3ccccc23)c1.Cl
InChIInChI=1S/C26H32N2O4S.ClH/c1-18(21-12-8-10-19-9-4-5-11-22(19)21)27-23-13-6-7-14-24(23)28-33(29,30)26-17-20(31-2)15-16-25(26)32-3;/h4-5,8-12,15-18,23-24,27-28H,6-7,13-14H2,1-3H3;1H/t18?,23-,24-;/m1./s1
InChIKeyADUJPSGJVCXFSY-ACOCUZPYSA-N
XLogP5.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.08
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethoxy-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride with MolForge

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Related Compounds

2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
N-[(2S)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
CID 58779401
N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11849343
[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl] 3-(cyclopropylsulfamoyl)-4-methoxybenzoate
CID 55404094
N-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride
CID 11849472
N-[(1R,2R)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride
CID 11849381
(2S)-1-N-[(2-chlorophenyl)methyl]-2-N-(1-naphthalen-1-ylethyl)cyclohexane-1,2-diamine;dihydrochloride
CID 158375573
4-methoxy-N-[(1S,2S)-2-[(4-methoxyphenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 101075407
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786580
2,5-dimethoxy-N-(4-methylcyclohexyl)benzenesulfonamide
CID 17377849
(1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 30624473
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2,5-dimethoxy-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride (CID 11849518) is 2,5-dimethoxy-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2,5-dimethoxy-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2,5-dimethoxy-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride is COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2NC(C)c2cccc3ccccc23)c1.Cl.
What is the InChIKey of 2,5-dimethoxy-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride?
The InChIKey is ADUJPSGJVCXFSY-ACOCUZPYSA-N. The full InChI is InChI=1S/C26H32N2O4S.ClH/c1-18(21-12-8-10-19-9-4-5-11-22(19)21)27-23-13-6-7-14-24(23)28-33(29,30)26-17-20(31-2)15-16-25(26)32-3;/h4-5,8-12,15-18,23-24,27-28H,6-7,13-14H2,1-3H3;1H/t18?,23-,24-;/m1./s1.
What are the key properties of 2,5-dimethoxy-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride?
2,5-dimethoxy-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride has a molecular weight of 505.08 g/mol, XLogP of 5.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 11849518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).