N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2,6-difluorobenzenesulfonamide

C14H17F2N5O2S — CID 122320921

IUPACN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2,6-difluorobenzenesulfonamide
SMILESCN(C)c1cnnc(NCCNS(=O)(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C14H17F2N5O2S/c1-21(2)10-8-13(20-18-9-10)17-6-7-19-24(22,23)14-11(15)4-3-5-12(14)16/h3-5,8-9,19H,6-7H2,1-2H3,(H,17,20)
InChIKeyUYOPQZQORQWKDC-UHFFFAOYSA-N
MW357.39 g/mol
LogP1.21
Rot. Bonds7

About N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2,6-difluorobenzenesulfonamide

N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2,6-difluorobenzenesulfonamide (PubChem CID 122320921) has the molecular formula C14H17F2N5O2S and a molecular weight of 357.39 g/mol. Its IUPAC name is N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2,6-difluorobenzenesulfonamide
PubChem CID122320921
Molecular FormulaC14H17F2N5O2S
Molecular Weight357.39 g/mol
Exact Mass357.11
IUPAC NameN-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2,6-difluorobenzenesulfonamide
SMILESCN(C)c1cnnc(NCCNS(=O)(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C14H17F2N5O2S/c1-21(2)10-8-13(20-18-9-10)17-6-7-19-24(22,23)14-11(15)4-3-5-12(14)16/h3-5,8-9,19H,6-7H2,1-2H3,(H,17,20)
InChIKeyUYOPQZQORQWKDC-UHFFFAOYSA-N
XLogP1.21
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 51.21
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]naphthalene-1-sulfonamide
CID 122320941
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-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2,3,4-trifluorobenzamide
CID 122320842
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-4-phenoxybenzamide
CID 122320804
N-(2-aminoethyl)-2,6-difluorobenzenesulfonamide
CID 43603529
3-(3-chloro-4-fluorophenyl)-N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]propanamide
CID 122320904
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 122320851
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-3-(3-methylphenyl)propanamide
CID 122320841
2-[(2,6-difluorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716783
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2-(2-methoxyphenyl)acetamide
CID 122320823
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2,6-difluorobenzenesulfonamide
CID 35405703

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2,6-difluorobenzenesulfonamide (CID 122320921) is N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2,6-difluorobenzenesulfonamide is CN(C)c1cnnc(NCCNS(=O)(=O)c2c(F)cccc2F)c1.
What is the InChIKey of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is UYOPQZQORQWKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5O2S/c1-21(2)10-8-13(20-18-9-10)17-6-7-19-24(22,23)14-11(15)4-3-5-12(14)16/h3-5,8-9,19H,6-7H2,1-2H3,(H,17,20).
What are the key properties of N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2,6-difluorobenzenesulfonamide?
N-[2-[[5-(dimethylamino)pyridazin-3-yl]amino]ethyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 357.39 g/mol, XLogP of 1.21, 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]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 122320921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).