5-[[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]methyl]thiophene-2-sulfonamide

C20H17FN4O2S2 — CID 91342241

IUPAC5-[[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]methyl]thiophene-2-sulfonamide
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(Cc3ccc(S(N)(=O)=O)s3)c2)n1
InChIInChI=1S/C20H17FN4O2S2/c1-12-3-2-4-18(24-12)20-16(11-23-25-20)13-5-7-17(21)14(9-13)10-15-6-8-19(28-15)29(22,26)27/h2-9,11H,10H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyHXGCOHDKZAMWSP-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.89
Rot. Bonds5

About 5-[[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]methyl]thiophene-2-sulfonamide

5-[[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]methyl]thiophene-2-sulfonamide (PubChem CID 91342241) has the molecular formula C20H17FN4O2S2 and a molecular weight of 428.51 g/mol. Its IUPAC name is 5-[[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]methyl]thiophene-2-sulfonamide
PubChem CID91342241
Molecular FormulaC20H17FN4O2S2
Molecular Weight428.51 g/mol
Exact Mass428.08
IUPAC Name5-[[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]methyl]thiophene-2-sulfonamide
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(Cc3ccc(S(N)(=O)=O)s3)c2)n1
InChIInChI=1S/C20H17FN4O2S2/c1-12-3-2-4-18(24-12)20-16(11-23-25-20)13-5-7-17(21)14(9-13)10-15-6-8-19(28-15)29(22,26)27/h2-9,11H,10H2,1H3,(H,23,25)(H2,22,26,27)
InChIKeyHXGCOHDKZAMWSP-UHFFFAOYSA-N
XLogP3.89
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]methyl]thiophene-2-sulfonamide (CID 91342241) is 5-[[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]methyl]thiophene-2-sulfonamide is Cc1cccc(-c2[nH]ncc2-c2ccc(F)c(Cc3ccc(S(N)(=O)=O)s3)c2)n1.
What is the InChIKey of 5-[[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]methyl]thiophene-2-sulfonamide?
The InChIKey is HXGCOHDKZAMWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S2/c1-12-3-2-4-18(24-12)20-16(11-23-25-20)13-5-7-17(21)14(9-13)10-15-6-8-19(28-15)29(22,26)27/h2-9,11H,10H2,1H3,(H,23,25)(H2,22,26,27).
What are the key properties of 5-[[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]methyl]thiophene-2-sulfonamide?
5-[[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]methyl]thiophene-2-sulfonamide has a molecular weight of 428.51 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 91342241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).