N-[3-(8-aminooctylamino)propyl]anthracene-1-sulfonamide

C25H35N3O2S — CID 58260289

IUPACN-[3-(8-aminooctylamino)propyl]anthracene-1-sulfonamide
SMILESNCCCCCCCCNCCCNS(=O)(=O)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C25H35N3O2S/c26-15-7-3-1-2-4-8-16-27-17-10-18-28-31(29,30)25-14-9-13-23-19-21-11-5-6-12-22(21)20-24(23)25/h5-6,9,11-14,19-20,27-28H,1-4,7-8,10,15-18,26H2
InChIKeyQOWOYPROJMEENZ-UHFFFAOYSA-N
MW441.64 g/mol
LogP4.55
Rot. Bonds14

About N-[3-(8-aminooctylamino)propyl]anthracene-1-sulfonamide

N-[3-(8-aminooctylamino)propyl]anthracene-1-sulfonamide (PubChem CID 58260289) has the molecular formula C25H35N3O2S and a molecular weight of 441.64 g/mol. Its IUPAC name is N-[3-(8-aminooctylamino)propyl]anthracene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(8-aminooctylamino)propyl]anthracene-1-sulfonamide
PubChem CID58260289
Molecular FormulaC25H35N3O2S
Molecular Weight441.64 g/mol
Exact Mass441.24
IUPAC NameN-[3-(8-aminooctylamino)propyl]anthracene-1-sulfonamide
SMILESNCCCCCCCCNCCCNS(=O)(=O)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C25H35N3O2S/c26-15-7-3-1-2-4-8-16-27-17-10-18-28-31(29,30)25-14-9-13-23-19-21-11-5-6-12-22(21)20-24(23)25/h5-6,9,11-14,19-20,27-28H,1-4,7-8,10,15-18,26H2
InChIKeyQOWOYPROJMEENZ-UHFFFAOYSA-N
XLogP4.55
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.64
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(6-aminohexyl)naphthalene-1-sulfonamide;hydron;chloride
CID 50987005
N-[3-(8-aminooctylamino)propyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 58260368
N-(3-aminopropyl)isoquinoline-5-sulfonamide
CID 14326791
N-(5-chloropentyl)naphthalene-1-sulfonamide
CID 107322709
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
N'-[4-[3-(anthracen-9-ylmethylamino)propylamino]butyl]butane-1,4-diamine
CID 11731344
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide
CID 120583360
N-(6-aminohexyl)-2-(trifluoromethyl)benzenesulfonamide
CID 22719674
N-(4-aminobutyl)-4-chloronaphthalene-1-sulfonamide;hydrochloride
CID 120583359
N-(4-methylpentyl)naphthalene-1-sulfonamide
CID 114795811
N-(4-aminobutyl)-5-chloronaphthalene-2-sulfonamide chloride
CID 71296961
N-(3-aminopropyl)-N'-(anthracen-9-ylmethyl)pentane-1,5-diamine
CID 11826638

Frequently Asked Questions

What is the IUPAC name of N-[3-(8-aminooctylamino)propyl]anthracene-1-sulfonamide?
The IUPAC name of N-[3-(8-aminooctylamino)propyl]anthracene-1-sulfonamide (CID 58260289) is N-[3-(8-aminooctylamino)propyl]anthracene-1-sulfonamide.
What is the SMILES notation for N-[3-(8-aminooctylamino)propyl]anthracene-1-sulfonamide?
The canonical SMILES for N-[3-(8-aminooctylamino)propyl]anthracene-1-sulfonamide is NCCCCCCCCNCCCNS(=O)(=O)c1cccc2cc3ccccc3cc12.
What is the InChIKey of N-[3-(8-aminooctylamino)propyl]anthracene-1-sulfonamide?
The InChIKey is QOWOYPROJMEENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2S/c26-15-7-3-1-2-4-8-16-27-17-10-18-28-31(29,30)25-14-9-13-23-19-21-11-5-6-12-22(21)20-24(23)25/h5-6,9,11-14,19-20,27-28H,1-4,7-8,10,15-18,26H2.
What are the key properties of N-[3-(8-aminooctylamino)propyl]anthracene-1-sulfonamide?
N-[3-(8-aminooctylamino)propyl]anthracene-1-sulfonamide has a molecular weight of 441.64 g/mol, XLogP of 4.55, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-aminooctylamino)propyl]anthracene-1-sulfonamide is sourced from PubChem (CID 58260289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).