2,4-difluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide

C20H18F2N4O2S — CID 7524059

IUPAC2,4-difluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccc(F)cc1F
InChIInChI=1S/C20H18F2N4O2S/c21-15-6-8-19(17(22)13-15)29(27,28)25-16-5-3-4-14(12-16)18-7-9-20(24-23-18)26-10-1-2-11-26/h3-9,12-13,25H,1-2,10-11H2
InChIKeyJFCIMCGCFAQGPN-UHFFFAOYSA-N
MW416.45 g/mol
LogP3.82
Rot. Bonds5

About 2,4-difluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide

2,4-difluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide (PubChem CID 7524059) has the molecular formula C20H18F2N4O2S and a molecular weight of 416.45 g/mol. Its IUPAC name is 2,4-difluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
PubChem CID7524059
Molecular FormulaC20H18F2N4O2S
Molecular Weight416.45 g/mol
Exact Mass416.11
IUPAC Name2,4-difluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccc(F)cc1F
InChIInChI=1S/C20H18F2N4O2S/c21-15-6-8-19(17(22)13-15)29(27,28)25-16-5-3-4-14(12-16)18-7-9-20(24-23-18)26-10-1-2-11-26/h3-9,12-13,25H,1-2,10-11H2
InChIKeyJFCIMCGCFAQGPN-UHFFFAOYSA-N
XLogP3.82
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide (CID 7524059) is 2,4-difluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is JFCIMCGCFAQGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2S/c21-15-6-8-19(17(22)13-15)29(27,28)25-16-5-3-4-14(12-16)18-7-9-20(24-23-18)26-10-1-2-11-26/h3-9,12-13,25H,1-2,10-11H2.
What are the key properties of 2,4-difluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide?
2,4-difluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 416.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7524059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).