N-[(2R)-2-(ethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide;hydrochloride

C16H23ClN2O3S — CID 120664583

IUPACN-[(2R)-2-(ethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccc(OC)c2ccccc12.Cl
InChIInChI=1S/C16H22N2O3S.ClH/c1-4-17-12(2)11-18-22(19,20)16-10-9-15(21-3)13-7-5-6-8-14(13)16;/h5-10,12,17-18H,4,11H2,1-3H3;1H/t12-;/m1./s1
InChIKeyTUODCCGFTMUQPP-UTONKHPSSA-N
MW358.89 g/mol
LogP2.55
Rot. Bonds7

About N-[(2R)-2-(ethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide;hydrochloride (PubChem CID 120664583) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide;hydrochloride
PubChem CID120664583
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide;hydrochloride
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccc(OC)c2ccccc12.Cl
InChIInChI=1S/C16H22N2O3S.ClH/c1-4-17-12(2)11-18-22(19,20)16-10-9-15(21-3)13-7-5-6-8-14(13)16;/h5-10,12,17-18H,4,11H2,1-3H3;1H/t12-;/m1./s1
InChIKeyTUODCCGFTMUQPP-UTONKHPSSA-N
XLogP2.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide
CID 78873411
N-ethyl-2-[(4-methoxynaphthalen-1-yl)sulfonylamino]acetamide
CID 86985962
N-[(2R)-2-(ethylamino)propyl]-4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
CID 120713955
4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide
CID 741442
N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide
CID 4914456
4-ethoxy-N-ethylnaphthalene-1-sulfonamide
CID 2235792
N-[(2R)-2-(ethylamino)propyl]naphthalene-2-sulfonamide;hydrochloride
CID 120664537
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-(1-methoxypropan-2-yloxy)benzenesulfonamide;hydrochloride
CID 120713968
4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 100550950
N-[(2R)-2-(ethylamino)propyl]-2-pyrrolidin-1-ylsulfonylbenzenesulfonamide;hydrochloride
CID 120713904
N-(4-chlorophenyl)-4-methoxynaphthalene-1-sulfonamide
CID 51702411
N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide
CID 120664782

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide;hydrochloride (CID 120664583) is N-[(2R)-2-(ethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide;hydrochloride is CCN[C@H](C)CNS(=O)(=O)c1ccc(OC)c2ccccc12.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide;hydrochloride?
The InChIKey is TUODCCGFTMUQPP-UTONKHPSSA-N. The full InChI is InChI=1S/C16H22N2O3S.ClH/c1-4-17-12(2)11-18-22(19,20)16-10-9-15(21-3)13-7-5-6-8-14(13)16;/h5-10,12,17-18H,4,11H2,1-3H3;1H/t12-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide;hydrochloride has a molecular weight of 358.89 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120664583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).