4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]benzenesulfonamide

C20H19F2N5O2S — CID 121281912

IUPAC4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(-c2ccc(NCC3(c4ccccn4)CC(F)C3)nn2)c1
InChIInChI=1S/C20H19F2N5O2S/c21-13-10-20(11-13,18-3-1-2-8-24-18)12-25-19-7-6-17(26-27-19)15-9-14(30(23,28)29)4-5-16(15)22/h1-9,13H,10-12H2,(H,25,27)(H2,23,28,29)
InChIKeyGJNKWVMJOUAMTF-UHFFFAOYSA-N
MW431.47 g/mol
LogP2.81
Rot. Bonds6

About 4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]benzenesulfonamide

4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]benzenesulfonamide (PubChem CID 121281912) has the molecular formula C20H19F2N5O2S and a molecular weight of 431.47 g/mol. Its IUPAC name is 4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]benzenesulfonamide
PubChem CID121281912
Molecular FormulaC20H19F2N5O2S
Molecular Weight431.47 g/mol
Exact Mass431.12
IUPAC Name4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(F)c(-c2ccc(NCC3(c4ccccn4)CC(F)C3)nn2)c1
InChIInChI=1S/C20H19F2N5O2S/c21-13-10-20(11-13,18-3-1-2-8-24-18)12-25-19-7-6-17(26-27-19)15-9-14(30(23,28)29)4-5-16(15)22/h1-9,13H,10-12H2,(H,25,27)(H2,23,28,29)
InChIKeyGJNKWVMJOUAMTF-UHFFFAOYSA-N
XLogP2.81
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]benzenesulfonamide with MolForge

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Related Compounds

4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxybenzamide
CID 136949525
4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzoic acid
CID 67453651
3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]-2-hydroxy-5-methylbenzonitrile
CID 136949527
trans-(1S,2S)-2-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]cyclopropane-1-carboxamide
CID 118498156
2-fluoro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
CID 121281954
6-(5-bromo-2-fluoro-4-methoxyphenyl)-N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]pyridazin-3-amine
CID 121285998
N-[4-fluoro-3-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]phenyl]-N-[(3R)-pyrrolidin-3-yl]formamide
CID 141481024
3-chloro-5-[6-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methylamino]pyridazin-3-yl]benzamide
CID 67451168
bis(N-[[3-fluoro-1-(3-fluoro-2-pyridinyl)cyclobutyl]methyl]-6-(3-isocyanophenyl)pyridazin-3-amine);methane
CID 158601643
(3-fluoro-1-pyridin-2-ylcyclobutyl)methanamine
CID 118498130
4-fluoro-3-[3-[(1-pyridin-2-ylcyclobutyl)methylamino]-1,2,4-triazin-6-yl]benzoic acid
CID 118467349
3-[6-[(2-cyano-1-pyridin-2-ylcyclobutyl)amino]pyridazin-3-yl]-4-fluorobenzamide
CID 67452929

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]benzenesulfonamide (CID 121281912) is 4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(F)c(-c2ccc(NCC3(c4ccccn4)CC(F)C3)nn2)c1.
What is the InChIKey of 4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]benzenesulfonamide?
The InChIKey is GJNKWVMJOUAMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2S/c21-13-10-20(11-13,18-3-1-2-8-24-18)12-25-19-7-6-17(26-27-19)15-9-14(30(23,28)29)4-5-16(15)22/h1-9,13H,10-12H2,(H,25,27)(H2,23,28,29).
What are the key properties of 4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]benzenesulfonamide?
4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]benzenesulfonamide has a molecular weight of 431.47 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[6-[(3-fluoro-1-pyridin-2-ylcyclobutyl)methylamino]pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 121281912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).