N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide

C22H18F3N5O2S — CID 56653051

IUPACN-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
SMILESCCn1cc(-c2ccnc(N)c2)c(-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1
InChIInChI=1S/C22H18F3N5O2S/c1-2-30-12-16(13-8-9-27-20(26)10-13)22(28-30)15-4-3-5-18(21(15)25)29-33(31,32)19-11-14(23)6-7-17(19)24/h3-12,29H,2H2,1H3,(H2,26,27)
InChIKeyOYDRMKGMHHZMDU-UHFFFAOYSA-N
MW473.48 g/mol
LogP4.43
Rot. Bonds6

About N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide

N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide (PubChem CID 56653051) has the molecular formula C22H18F3N5O2S and a molecular weight of 473.48 g/mol. Its IUPAC name is N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
PubChem CID56653051
Molecular FormulaC22H18F3N5O2S
Molecular Weight473.48 g/mol
Exact Mass473.11
IUPAC NameN-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
SMILESCCn1cc(-c2ccnc(N)c2)c(-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1
InChIInChI=1S/C22H18F3N5O2S/c1-2-30-12-16(13-8-9-27-20(26)10-13)22(28-30)15-4-3-5-18(21(15)25)29-33(31,32)19-11-14(23)6-7-17(19)24/h3-12,29H,2H2,1H3,(H2,26,27)
InChIKeyOYDRMKGMHHZMDU-UHFFFAOYSA-N
XLogP4.43
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
CID 44622212
N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
CID 44622365
N-[5-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-6-fluorocyclohexa-1,5-dien-1-yl]-2,5-difluorobenzenesulfonamide
CID 123557128
N-[3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
CID 44622209
2,5-difluoro-N-[2-fluoro-3-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-pyridin-4-ylpyrazol-3-yl]phenyl]benzenesulfonamide
CID 66729459
4-[3-[3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-1-(oxan-4-yl)pyrazol-4-yl]pyridine-2-carboxylic acid
CID 118413126
N-(1-ethyl-3-methylpyrazol-4-yl)-2,5-difluorobenzenesulfonamide
CID 22209239
2,5-difluoro-N-[2-fluoro-3-(1-piperidin-4-yl-4-pyridin-4-ylpyrazol-3-yl)phenyl]benzenesulfonamide
CID 86693825
4-[3-(3-amino-2,6-difluorophenyl)-1-ethylpyrazol-4-yl]pyridin-2-amine;2,5-difluorobenzenethiol
CID 143929399
4-[3-[2-(2,5-difluorophenyl)sulfonyl-6-methylphenyl]-1-ethylpyrazol-4-yl]pyridine
CID 71071040
N-[3-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide
CID 138707698
N-[2-(aminomethyl)-3-(1-ethyl-4-pyridin-4-ylpyrazol-3-yl)phenyl]-N-(2,5-difluorophenyl)sulfonylacetamide
CID 174772905

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide (CID 56653051) is N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide is CCn1cc(-c2ccnc(N)c2)c(-c2cccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1.
What is the InChIKey of N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is OYDRMKGMHHZMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2S/c1-2-30-12-16(13-8-9-27-20(26)10-13)22(28-30)15-4-3-5-18(21(15)25)29-33(31,32)19-11-14(23)6-7-17(19)24/h3-12,29H,2H2,1H3,(H2,26,27).
What are the key properties of N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide?
N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 473.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2-fluorophenyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 56653051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).