4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide

C19H13Cl2FN6O3S — CID 46842089

IUPAC4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESNc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cccnn2)cc1Cl
InChIInChI=1S/C19H13Cl2FN6O3S/c20-10-3-4-15(11(6-10)12-9-25-27-19(12)23)31-16-8-14(22)17(7-13(16)21)32(29,30)28-18-2-1-5-24-26-18/h1-9H,(H,26,28)(H3,23,25,27)
InChIKeyYPWGUWCUUPMQSO-UHFFFAOYSA-N
MW495.32 g/mol
LogP4.49
Rot. Bonds6

About 4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide

4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 46842089) has the molecular formula C19H13Cl2FN6O3S and a molecular weight of 495.32 g/mol. Its IUPAC name is 4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID46842089
Molecular FormulaC19H13Cl2FN6O3S
Molecular Weight495.32 g/mol
Exact Mass494.01
IUPAC Name4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESNc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cccnn2)cc1Cl
InChIInChI=1S/C19H13Cl2FN6O3S/c20-10-3-4-15(11(6-10)12-9-25-27-19(12)23)31-16-8-14(22)17(7-13(16)21)32(29,30)28-18-2-1-5-24-26-18/h1-9H,(H,26,28)(H3,23,25,27)
InChIKeyYPWGUWCUUPMQSO-UHFFFAOYSA-N
XLogP4.49
TPSA135.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.32
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Benzenesulfonamide, 5-chloro-2-fluoro-4-[2-(4-pyridazinyl)-4-(trifluoromethyl)phenoxy]-N-1,3,4-thiadiazol-2-yl-
CID 46841787
4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 46841079
4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-1,3,4-thiadiazol-2-ylbenzenesulfonamide
CID 46841217
4-[2-(3-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenoxy]-5-chloro-2-fluoro-N-1,3,4-thiadiazol-2-ylbenzenesulfonamide
CID 46841788
5-Chloro-2-fluoro-4-[5-fluoro-2-pyridazin-4-yl-4-(trifluoromethyl)phenoxy]-N-1,3,4-thiadiazol-2-ylbenzenesulfonamide
CID 46841937
5-chloro-4-[4-chloro-2-[5-(dimethylamino)-1H-pyrazol-4-yl]phenoxy]-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71716221
4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-3-chloro-N-pyrimidin-4-ylbenzenesulfonamide
CID 71716860
5-chloro-4-(4-cyano-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71717415
5-chloro-4-(4-chloro-2-pyridazin-4-ylphenoxy)-2-fluoro-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 71717495
4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 71717504
4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71717515
4-(4-chloro-2-pyridazin-4-ylphenoxy)-N-(1,3,4-thiadiazol-2-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 71718027

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide (CID 46842089) is 4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide is Nc1[nH]ncc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2cccnn2)cc1Cl.
What is the InChIKey of 4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is YPWGUWCUUPMQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FN6O3S/c20-10-3-4-15(11(6-10)12-9-25-27-19(12)23)31-16-8-14(22)17(7-13(16)21)32(29,30)28-18-2-1-5-24-26-18/h1-9H,(H,26,28)(H3,23,25,27).
What are the key properties of 4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide?
4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 495.32 g/mol, XLogP of 4.49, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-amino-1H-pyrazol-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 46842089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).