4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide

C22H15ClFN5O3S — CID 71717431

IUPAC4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESCn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1C#N
InChIInChI=1S/C22H15ClFN5O3S/c1-29-19(8-9-27-29)18-11-15(23)2-5-21(18)32-20-6-4-17(10-14(20)12-25)33(30,31)28-22-7-3-16(24)13-26-22/h2-11,13H,1H3,(H,26,28)
InChIKeyBHDFEYXQMOLKGD-UHFFFAOYSA-N
MW483.91 g/mol
LogP4.74
Rot. Bonds6

About 4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide

4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (PubChem CID 71717431) has the molecular formula C22H15ClFN5O3S and a molecular weight of 483.91 g/mol. Its IUPAC name is 4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
PubChem CID71717431
Molecular FormulaC22H15ClFN5O3S
Molecular Weight483.91 g/mol
Exact Mass483.06
IUPAC Name4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
SMILESCn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1C#N
InChIInChI=1S/C22H15ClFN5O3S/c1-29-19(8-9-27-29)18-11-15(23)2-5-21(18)32-20-6-4-17(10-14(20)12-25)33(30,31)28-22-7-3-16(24)13-26-22/h2-11,13H,1H3,(H,26,28)
InChIKeyBHDFEYXQMOLKGD-UHFFFAOYSA-N
XLogP4.74
TPSA109.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.91
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Ds-1971
CID 71711862
4-(4-chloro-2-(1-(1-ethylazetidin-3-yl)-1H-pyrazol-5-yl)phenoxy)-3-cyano-N-(thiazol-4-yl)benzenesulfonamide
CID 46841648
URAT1 inhibitor 7
CID 86294663
5-chloro-4-[4-chloro-2-(1-methyl-1H-pyrazol-5-yl)phenoxy]-2-fluoro-N-pyrimidin-4-ylbenzenesulfonamide
CID 46841501
4-[2-(2-aminopyridin-4-yl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 46841934
4-[2-(1-azetidin-3-yl-1H-pyrazol-5-yl)-4-chlorophenoxy]-3-cyano-N-1,3-thiazol-4-ylbenzenesulfonamide
CID 57494825
4-[4-Chloro-2-(1-methyl-1H-pyrazol-5-yl)phenoxy]-3-cyano-N-1,3-thiazol-2-ylbenzenesulfonamide
CID 59436599
4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-pyrimidin-4-ylbenzenesulfonamide
CID 71716191
4-(4-chloro-2-pyridazin-4-ylphenoxy)-2,5-difluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 71716211
4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2,5-difluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 71716220
5-chloro-4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 71716262
4-[4-chloro-2-[2-(1-methylazetidin-3-yl)pyrazol-3-yl]phenoxy]-3-cyano-N-(1,3-thiazol-4-yl)benzenesulfonamide
CID 71716270

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide (CID 71717431) is 4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1C#N.
What is the InChIKey of 4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
The InChIKey is BHDFEYXQMOLKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFN5O3S/c1-29-19(8-9-27-29)18-11-15(23)2-5-21(18)32-20-6-4-17(10-14(20)12-25)33(30,31)28-22-7-3-16(24)13-26-22/h2-11,13H,1H3,(H,26,28).
What are the key properties of 4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide?
4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide has a molecular weight of 483.91 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-2-(2-methylpyrazol-3-yl)phenoxy]-3-cyano-N-(5-fluoro-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 71717431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).