N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide

C20H23N3O2S — CID 54343752

IUPACN-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCc3ccc(N)cc3)cccc12
InChIInChI=1S/C20H23N3O2S/c1-23(2)19-7-3-6-18-17(19)5-4-8-20(18)26(24,25)22-14-13-15-9-11-16(21)12-10-15/h3-12,22H,13-14,21H2,1-2H3
InChIKeyUAUXOOASMQAJED-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.01
Rot. Bonds6

About N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide

N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 54343752) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID54343752
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCc3ccc(N)cc3)cccc12
InChIInChI=1S/C20H23N3O2S/c1-23(2)19-7-3-6-18-17(19)5-4-8-20(18)26(24,25)22-14-13-15-9-11-16(21)12-10-15/h3-12,22H,13-14,21H2,1-2H3
InChIKeyUAUXOOASMQAJED-UHFFFAOYSA-N
XLogP3.01
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
1-N-[2-(4-aminophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-disulfonamide
CID 120715586
1-N-[2-(4-aminophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-disulfonamide;hydrochloride
CID 120715585
5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide
CID 70948428
N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 58260368
5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
CID 18702175
tert-butyl 2-amino-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butanoate
CID 67601202
5-[bis(trideuteriomethyl)amino]-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 169437063
5-(dimethylamino)-N-[6-[[4-[(4-methylphenyl)methylamino]-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]hexyl]naphthalene-1-sulfonamide
CID 25043472
N-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl]-2-methoxyacetamide
CID 23378485

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide (CID 54343752) is N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)NCCc3ccc(N)cc3)cccc12.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is UAUXOOASMQAJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-23(2)19-7-3-6-18-17(19)5-4-8-20(18)26(24,25)22-14-13-15-9-11-16(21)12-10-15/h3-12,22H,13-14,21H2,1-2H3.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide?
N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide has a molecular weight of 369.49 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 54343752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).