N-[3-[3-(4-sulfinamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanesulfonamide

C19H17N5O3S2 — CID 90670296

IUPACN-[3-[3-(4-sulfinamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc3ncc(-c4ccc(S(N)=O)cc4)n3n2)c1
InChIInChI=1S/C19H17N5O3S2/c1-29(26,27)23-15-4-2-3-14(11-15)17-9-10-19-21-12-18(24(19)22-17)13-5-7-16(8-6-13)28(20)25/h2-12,23H,20H2,1H3
InChIKeyFEZYWBKTELFLPH-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.42
Rot. Bonds5

About N-[3-[3-(4-sulfinamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanesulfonamide

N-[3-[3-(4-sulfinamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanesulfonamide (PubChem CID 90670296) has the molecular formula C19H17N5O3S2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-[3-[3-(4-sulfinamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3-(4-sulfinamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanesulfonamide
PubChem CID90670296
Molecular FormulaC19H17N5O3S2
Molecular Weight427.51 g/mol
Exact Mass427.08
IUPAC NameN-[3-[3-(4-sulfinamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2ccc3ncc(-c4ccc(S(N)=O)cc4)n3n2)c1
InChIInChI=1S/C19H17N5O3S2/c1-29(26,27)23-15-4-2-3-14(11-15)17-9-10-19-21-12-18(24(19)22-17)13-5-7-16(8-6-13)28(20)25/h2-12,23H,20H2,1H3
InChIKeyFEZYWBKTELFLPH-UHFFFAOYSA-N
XLogP2.42
TPSA119.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(4-sulfinamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[3-(4-sulfinamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanesulfonamide (CID 90670296) is N-[3-[3-(4-sulfinamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[3-(4-sulfinamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[3-(4-sulfinamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2ccc3ncc(-c4ccc(S(N)=O)cc4)n3n2)c1.
What is the InChIKey of N-[3-[3-(4-sulfinamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanesulfonamide?
The InChIKey is FEZYWBKTELFLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S2/c1-29(26,27)23-15-4-2-3-14(11-15)17-9-10-19-21-12-18(24(19)22-17)13-5-7-16(8-6-13)28(20)25/h2-12,23H,20H2,1H3.
What are the key properties of N-[3-[3-(4-sulfinamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanesulfonamide?
N-[3-[3-(4-sulfinamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanesulfonamide has a molecular weight of 427.51 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(4-sulfinamoylphenyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 90670296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).