N,N-bis(3-azidopropyl)-5-(dimethylamino)naphthalene-1-sulfonamide

C18H24N8O2S — CID 71405546

IUPACN,N-bis(3-azidopropyl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)N(CCCN=[N+]=[N-])CCCN=[N+]=[N-])cccc12
InChIInChI=1S/C18H24N8O2S/c1-25(2)17-9-3-8-16-15(17)7-4-10-18(16)29(27,28)26(13-5-11-21-23-19)14-6-12-22-24-20/h3-4,7-10H,5-6,11-14H2,1-2H3
InChIKeyQTDCBVARNUWGKM-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.30
Rot. Bonds11

About N,N-bis(3-azidopropyl)-5-(dimethylamino)naphthalene-1-sulfonamide

N,N-bis(3-azidopropyl)-5-(dimethylamino)naphthalene-1-sulfonamide (PubChem CID 71405546) has the molecular formula C18H24N8O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N,N-bis(3-azidopropyl)-5-(dimethylamino)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN,N-bis(3-azidopropyl)-5-(dimethylamino)naphthalene-1-sulfonamide
PubChem CID71405546
Molecular FormulaC18H24N8O2S
Molecular Weight416.51 g/mol
Exact Mass416.17
IUPAC NameN,N-bis(3-azidopropyl)-5-(dimethylamino)naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)N(CCCN=[N+]=[N-])CCCN=[N+]=[N-])cccc12
InChIInChI=1S/C18H24N8O2S/c1-25(2)17-9-3-8-16-15(17)7-4-10-18(16)29(27,28)26(13-5-11-21-23-19)14-6-12-22-24-20/h3-4,7-10H,5-6,11-14H2,1-2H3
InChIKeyQTDCBVARNUWGKM-UHFFFAOYSA-N
XLogP4.30
TPSA138.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze N,N-bis(3-azidopropyl)-5-(dimethylamino)naphthalene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(dimethylamino)-N,N-bis[4-[4-(ethylamino)butylamino]butyl]naphthalene-1-sulfonamide
CID 102092589
5-(dimethylamino)-N-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethylamino]propyl]amino](214C)propyl]amino]propyl]-N-ethylnaphthalene-1-sulfonamide
CID 10820158
2-[3-[3-[carboxymethyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propyl-methylamino]propyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]acetic acid;ethane
CID 142835532
N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;4-(dimethylamino)-N-ethyl-N-methylnaphthalene-1-sulfonamide;propane
CID 157227352
N-diazo-5-(dimethylamino)naphthalene-1-sulfonamide;5-(dimethylamino)naphthalene-1-sulfonyl chloride
CID 160685371
3-[5-(dimethylamino)naphthalen-1-yl]sulfonyliminopentanedioic acid
CID 10571679
[5-(dimethylamino)naphthalen-1-yl]sulfonylphosphonic acid
CID 23282453
sodium;5-(dimethylamino)naphthalene-1-sulfonic acid;hydride
CID 173060733
5-(dimethylamino)-N,N-bis(pyridin-2-ylmethyl)naphthalene-1-sulfonamide
CID 102189253
N,N-bis(1,3-benzothiazol-2-ylmethyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 177476330
2-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-methylamino]ethyl N-aminocarbamate
CID 70810373
5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-azidopropyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The IUPAC name of N,N-bis(3-azidopropyl)-5-(dimethylamino)naphthalene-1-sulfonamide (CID 71405546) is N,N-bis(3-azidopropyl)-5-(dimethylamino)naphthalene-1-sulfonamide.
What is the SMILES notation for N,N-bis(3-azidopropyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The canonical SMILES for N,N-bis(3-azidopropyl)-5-(dimethylamino)naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)N(CCCN=[N+]=[N-])CCCN=[N+]=[N-])cccc12.
What is the InChIKey of N,N-bis(3-azidopropyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
The InChIKey is QTDCBVARNUWGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O2S/c1-25(2)17-9-3-8-16-15(17)7-4-10-18(16)29(27,28)26(13-5-11-21-23-19)14-6-12-22-24-20/h3-4,7-10H,5-6,11-14H2,1-2H3.
What are the key properties of N,N-bis(3-azidopropyl)-5-(dimethylamino)naphthalene-1-sulfonamide?
N,N-bis(3-azidopropyl)-5-(dimethylamino)naphthalene-1-sulfonamide has a molecular weight of 416.51 g/mol, XLogP of 4.30, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-azidopropyl)-5-(dimethylamino)naphthalene-1-sulfonamide is sourced from PubChem (CID 71405546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).