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

C22H17F4N5O2S — CID 44622365

IUPACN-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
SMILESCCn1cc(-c2ccnc(N)c2)c(-c2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1
InChIInChI=1S/C22H17F4N5O2S/c1-2-31-11-14(12-7-8-28-19(27)9-12)22(29-31)20-16(25)5-6-17(21(20)26)30-34(32,33)18-10-13(23)3-4-15(18)24/h3-11,30H,2H2,1H3,(H2,27,28)
InChIKeyPGDSPLXMPXRRLH-UHFFFAOYSA-N
MW491.47 g/mol
LogP4.57
Rot. Bonds6

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

N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide (PubChem CID 44622365) has the molecular formula C22H17F4N5O2S and a molecular weight of 491.47 g/mol. Its IUPAC name is N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
PubChem CID44622365
Molecular FormulaC22H17F4N5O2S
Molecular Weight491.47 g/mol
Exact Mass491.10
IUPAC NameN-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide
SMILESCCn1cc(-c2ccnc(N)c2)c(-c2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1
InChIInChI=1S/C22H17F4N5O2S/c1-2-31-11-14(12-7-8-28-19(27)9-12)22(29-31)20-16(25)5-6-17(21(20)26)30-34(32,33)18-10-13(23)3-4-15(18)24/h3-11,30H,2H2,1H3,(H2,27,28)
InChIKeyPGDSPLXMPXRRLH-UHFFFAOYSA-N
XLogP4.57
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.47
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide (CID 44622365) is N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide is CCn1cc(-c2ccnc(N)c2)c(-c2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)n1.
What is the InChIKey of N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is PGDSPLXMPXRRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N5O2S/c1-2-31-11-14(12-7-8-28-19(27)9-12)22(29-31)20-16(25)5-6-17(21(20)26)30-34(32,33)18-10-13(23)3-4-15(18)24/h3-11,30H,2H2,1H3,(H2,27,28).
What are the key properties of N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide?
N-[3-[4-(2-amino-4-pyridinyl)-1-ethylpyrazol-3-yl]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 491.47 g/mol, XLogP of 4.57, 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]-2,4-difluorophenyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 44622365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).