N-[6-(benzylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide

C17H15FN4O2S — CID 16942093

IUPACN-[6-(benzylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCc2ccccc2)nn1)c1ccc(F)cc1
InChIInChI=1S/C17H15FN4O2S/c18-14-6-8-15(9-7-14)25(23,24)22-17-11-10-16(20-21-17)19-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,19,20)(H,21,22)
InChIKeyKBSCWGUENVTPNU-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.03
Rot. Bonds6

About N-[6-(benzylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide

N-[6-(benzylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide (PubChem CID 16942093) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[6-(benzylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(benzylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
PubChem CID16942093
Molecular FormulaC17H15FN4O2S
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC NameN-[6-(benzylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(NCc2ccccc2)nn1)c1ccc(F)cc1
InChIInChI=1S/C17H15FN4O2S/c18-14-6-8-15(9-7-14)25(23,24)22-17-11-10-16(20-21-17)19-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,19,20)(H,21,22)
InChIKeyKBSCWGUENVTPNU-UHFFFAOYSA-N
XLogP3.03
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(benzylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[6-(benzylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide (CID 16942093) is N-[6-(benzylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[6-(benzylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[6-(benzylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(NCc2ccccc2)nn1)c1ccc(F)cc1.
What is the InChIKey of N-[6-(benzylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide?
The InChIKey is KBSCWGUENVTPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O2S/c18-14-6-8-15(9-7-14)25(23,24)22-17-11-10-16(20-21-17)19-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,19,20)(H,21,22).
What are the key properties of N-[6-(benzylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide?
N-[6-(benzylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide has a molecular weight of 358.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 16942093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).