2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide

C22H20ClF3N4O2S — CID 22576015

IUPAC2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C22H20ClF3N4O2S/c23-18-8-7-16(22(24,25)26)14-20(18)33(31,32)29-17-6-4-5-15(13-17)19-9-10-21(28-27-19)30-11-2-1-3-12-30/h4-10,13-14,29H,1-3,11-12H2
InChIKeyFGZXPCVBFNYZHV-UHFFFAOYSA-N
MW496.94 g/mol
LogP5.61
Rot. Bonds5

About 2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide

2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 22576015) has the molecular formula C22H20ClF3N4O2S and a molecular weight of 496.94 g/mol. Its IUPAC name is 2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
PubChem CID22576015
Molecular FormulaC22H20ClF3N4O2S
Molecular Weight496.94 g/mol
Exact Mass496.09
IUPAC Name2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C22H20ClF3N4O2S/c23-18-8-7-16(22(24,25)26)14-20(18)33(31,32)29-17-6-4-5-15(13-17)19-9-10-21(28-27-19)30-11-2-1-3-12-30/h4-10,13-14,29H,1-3,11-12H2
InChIKeyFGZXPCVBFNYZHV-UHFFFAOYSA-N
XLogP5.61
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.94
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41006096
2-chloro-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41159278
3-fluoro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 30595877
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide
CID 29043555
2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 43985827
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 41077791
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,4,5-trichlorobenzenesulfonamide
CID 121031462
N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 7520734
2-chloro-N-[3-(2H-tetrazol-5-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 8823439
4-methoxy-2,5-dimethyl-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 22576017
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-ethoxybenzenesulfonamide
CID 41006161
2,3-dichloro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 41349100

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide (CID 22576015) is 2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FGZXPCVBFNYZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N4O2S/c23-18-8-7-16(22(24,25)26)14-20(18)33(31,32)29-17-6-4-5-15(13-17)19-9-10-21(28-27-19)30-11-2-1-3-12-30/h4-10,13-14,29H,1-3,11-12H2.
What are the key properties of 2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide?
2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 496.94 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 22576015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).