N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide

C18H21N5O2S — CID 122320941

IUPACN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cnnc(NCCNS(=O)(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C18H21N5O2S/c1-23(2)15-12-18(22-20-13-15)19-10-11-21-26(24,25)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,12-13,21H,10-11H2,1-2H3,(H,19,22)
InChIKeyFNPTZSGFKSIQKC-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.09
Rot. Bonds7

About N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide

N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide (PubChem CID 122320941) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide
PubChem CID122320941
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC NameN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cnnc(NCCNS(=O)(=O)c2cccc3ccccc23)c1
InChIInChI=1S/C18H21N5O2S/c1-23(2)15-12-18(22-20-13-15)19-10-11-21-26(24,25)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,12-13,21H,10-11H2,1-2H3,(H,19,22)
InChIKeyFNPTZSGFKSIQKC-UHFFFAOYSA-N
XLogP2.09
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.09
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-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2,6-difluorobenzenesulfonamide
CID 122320921
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 122320936
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]pyrrolidine-1-sulfonamide
CID 122320980
N-[[4-(dimethylamino)phenyl]methyl]naphthalene-1-sulfonamide
CID 3709466
N-[2-[(R)-methylsulfinyl]ethyl]naphthalene-1-sulfonamide
CID 97001306
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide
CID 122293227
2-[[7-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethyl-trimethylazanium
CID 123134099
N-(3-methylbutyl)naphthalene-1-sulfonamide
CID 115684014
N-(2-methylsulfanylethyl)naphthalene-1-sulfonamide
CID 115684023
N-[2-(naphthalen-1-ylsulfonylamino)ethyl]propanamide
CID 170551201
N-(methylaminomethyl)naphthalene-1-sulfonamide
CID 173069898
N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]naphthalene-1-sulfonamide
CID 122290996

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide (CID 122320941) is N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide is CN(C)c1cnnc(NCCNS(=O)(=O)c2cccc3ccccc23)c1.
What is the InChIKey of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide?
The InChIKey is FNPTZSGFKSIQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c1-23(2)15-12-18(22-20-13-15)19-10-11-21-26(24,25)17-9-5-7-14-6-3-4-8-16(14)17/h3-9,12-13,21H,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide?
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide has a molecular weight of 371.47 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 122320941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).