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

C21H19FN4O2S2 — CID 69350646

IUPAC5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N,N-dimethylthiophene-2-sulfonamide
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3ccc(S(=O)(=O)N(C)C)s3)c2)n1
InChIInChI=1S/C21H19FN4O2S2/c1-13-5-4-6-18(24-13)21-16(12-23-25-21)14-7-8-17(22)15(11-14)19-9-10-20(29-19)30(27,28)26(2)3/h4-12H,1-3H3,(H,23,25)
InChIKeyLQYBFQFSBXRPHJ-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.57
Rot. Bonds5

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

5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N,N-dimethylthiophene-2-sulfonamide (PubChem CID 69350646) has the molecular formula C21H19FN4O2S2 and a molecular weight of 442.54 g/mol. Its IUPAC name is 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N,N-dimethylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N,N-dimethylthiophene-2-sulfonamide
PubChem CID69350646
Molecular FormulaC21H19FN4O2S2
Molecular Weight442.54 g/mol
Exact Mass442.09
IUPAC Name5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N,N-dimethylthiophene-2-sulfonamide
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3ccc(S(=O)(=O)N(C)C)s3)c2)n1
InChIInChI=1S/C21H19FN4O2S2/c1-13-5-4-6-18(24-13)21-16(12-23-25-21)14-7-8-17(22)15(11-14)19-9-10-20(29-19)30(27,28)26(2)3/h4-12H,1-3H3,(H,23,25)
InChIKeyLQYBFQFSBXRPHJ-UHFFFAOYSA-N
XLogP4.57
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.57
H-Bond Donors ≤ 51
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]-N,N-dimethylthiophene-2-sulfonamide?
The IUPAC name of 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N,N-dimethylthiophene-2-sulfonamide (CID 69350646) is 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N,N-dimethylthiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N,N-dimethylthiophene-2-sulfonamide?
The canonical SMILES for 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N,N-dimethylthiophene-2-sulfonamide is Cc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3ccc(S(=O)(=O)N(C)C)s3)c2)n1.
What is the InChIKey of 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N,N-dimethylthiophene-2-sulfonamide?
The InChIKey is LQYBFQFSBXRPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2S2/c1-13-5-4-6-18(24-13)21-16(12-23-25-21)14-7-8-17(22)15(11-14)19-9-10-20(29-19)30(27,28)26(2)3/h4-12H,1-3H3,(H,23,25).
What are the key properties of 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N,N-dimethylthiophene-2-sulfonamide?
5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-N,N-dimethylthiophene-2-sulfonamide has a molecular weight of 442.54 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 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]-N,N-dimethylthiophene-2-sulfonamide is sourced from PubChem (CID 69350646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).