N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-2-sulfonamide

C22H27N3O2S — CID 7497879

IUPACN-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-2-sulfonamide
SMILESCN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3ccccc3c2)N(C)C)cc1
InChIInChI=1S/C22H27N3O2S/c1-24(2)20-12-9-18(10-13-20)22(25(3)4)16-23-28(26,27)21-14-11-17-7-5-6-8-19(17)15-21/h5-15,22-23H,16H2,1-4H3/t22-/m0/s1
InChIKeyLLIZSRKMHYBWDC-QFIPXVFZSA-N
MW397.54 g/mol
LogP3.49
Rot. Bonds7

About N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-2-sulfonamide

N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-2-sulfonamide (PubChem CID 7497879) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-2-sulfonamide
PubChem CID7497879
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC NameN-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-2-sulfonamide
SMILESCN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3ccccc3c2)N(C)C)cc1
InChIInChI=1S/C22H27N3O2S/c1-24(2)20-12-9-18(10-13-20)22(25(3)4)16-23-28(26,27)21-14-11-17-7-5-6-8-19(17)15-21/h5-15,22-23H,16H2,1-4H3/t22-/m0/s1
InChIKeyLLIZSRKMHYBWDC-QFIPXVFZSA-N
XLogP3.49
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ium-1-ylethyl]naphthalene-2-sulfonamide
CID 7498083
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]naphthalene-2-sulfonamide
CID 7498084
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide
CID 7497842
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-4-fluorobenzenesulfonamide
CID 20962685
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-nitrobenzenesulfonamide
CID 43956490
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 43956494
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 20962682
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide
CID 7497838
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide
CID 43955991
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide
CID 43956477
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-(naphthalen-2-ylsulfonylamino)butanamide
CID 41203632
N-(2-hydroxypropyl)naphthalene-2-sulfonamide
CID 43394412

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-2-sulfonamide (CID 7497879) is N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-2-sulfonamide is CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc3ccccc3c2)N(C)C)cc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-2-sulfonamide?
The InChIKey is LLIZSRKMHYBWDC-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-24(2)20-12-9-18(10-13-20)22(25(3)4)16-23-28(26,27)21-14-11-17-7-5-6-8-19(17)15-21/h5-15,22-23H,16H2,1-4H3/t22-/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-2-sulfonamide?
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-2-sulfonamide has a molecular weight of 397.54 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 7497879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).