5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide

C30H38N4O4S2 — CID 14008934

IUPAC5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCCCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)cccc12
InChIInChI=1S/C30H38N4O4S2/c1-33(2)27-17-9-15-25-23(27)13-11-19-29(25)39(35,36)31-21-7-5-6-8-22-32-40(37,38)30-20-12-14-24-26(30)16-10-18-28(24)34(3)4/h9-20,31-32H,5-8,21-22H2,1-4H3
InChIKeyDLFQSNDQLGYLEQ-UHFFFAOYSA-N
MW582.79 g/mol
LogP4.94
Rot. Bonds13

About 5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide

5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide (PubChem CID 14008934) has the molecular formula C30H38N4O4S2 and a molecular weight of 582.79 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
PubChem CID14008934
Molecular FormulaC30H38N4O4S2
Molecular Weight582.79 g/mol
Exact Mass582.23
IUPAC Name5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCCCCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)cccc12
InChIInChI=1S/C30H38N4O4S2/c1-33(2)27-17-9-15-25-23(27)13-11-19-29(25)39(35,36)31-21-7-5-6-8-22-32-40(37,38)30-20-12-14-24-26(30)16-10-18-28(24)34(3)4/h9-20,31-32H,5-8,21-22H2,1-4H3
InChIKeyDLFQSNDQLGYLEQ-UHFFFAOYSA-N
XLogP4.94
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.79
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 58260368
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
5-(dimethylamino)-N-(3-propoxypropyl)naphthalene-1-sulfonamide
CID 3456348
5-(dimethylamino)-N-[3-[3-[(4-methylphenyl)sulfonylamino]propylamino]propyl]naphthalene-1-sulfonamide
CID 11555407
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 142573981
5-(dimethylamino)-N-[2-(2-hydroxyethylamino)ethyl]naphthalene-1-sulfonamide
CID 70948428
N-[3-[2-[2-[3-(tert-butylamino)propoxy]ethoxy]ethoxy]propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 155460184
5-(dimethylamino)-N-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide
CID 137348720
5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
CID 18702175
5-(dimethylamino)-N-(4-nitrososulfanylpentyl)naphthalene-1-sulfonamide
CID 10981814
N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 54343752

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide (CID 14008934) is 5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)NCCCCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide?
The InChIKey is DLFQSNDQLGYLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O4S2/c1-33(2)27-17-9-15-25-23(27)13-11-19-29(25)39(35,36)31-21-7-5-6-8-22-32-40(37,38)30-20-12-14-24-26(30)16-10-18-28(24)34(3)4/h9-20,31-32H,5-8,21-22H2,1-4H3.
What are the key properties of 5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide?
5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide has a molecular weight of 582.79 g/mol, XLogP of 4.94, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 14008934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).