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

C19H15FN4O2S2 — CID 11604032

IUPAC5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]thiophene-2-sulfonamide
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3ccc(S(N)(=O)=O)s3)c2)n1
InChIInChI=1S/C19H15FN4O2S2/c1-11-3-2-4-16(23-11)19-14(10-22-24-19)12-5-6-15(20)13(9-12)17-7-8-18(27-17)28(21,25)26/h2-10H,1H3,(H,22,24)(H2,21,25,26)
InChIKeyCRUNECLYSSPCKM-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.96
Rot. Bonds4

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

5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]thiophene-2-sulfonamide (PubChem CID 11604032) has the molecular formula C19H15FN4O2S2 and a molecular weight of 414.49 g/mol. Its IUPAC name is 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]thiophene-2-sulfonamide
PubChem CID11604032
Molecular FormulaC19H15FN4O2S2
Molecular Weight414.49 g/mol
Exact Mass414.06
IUPAC Name5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]thiophene-2-sulfonamide
SMILESCc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3ccc(S(N)(=O)=O)s3)c2)n1
InChIInChI=1S/C19H15FN4O2S2/c1-11-3-2-4-16(23-11)19-14(10-22-24-19)12-5-6-15(20)13(9-12)17-7-8-18(27-17)28(21,25)26/h2-10H,1H3,(H,22,24)(H2,21,25,26)
InChIKeyCRUNECLYSSPCKM-UHFFFAOYSA-N
XLogP3.96
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.96
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]thiophene-2-sulfonamide?
The IUPAC name of 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]thiophene-2-sulfonamide (CID 11604032) is 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]thiophene-2-sulfonamide is Cc1cccc(-c2[nH]ncc2-c2ccc(F)c(-c3ccc(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]thiophene-2-sulfonamide?
The InChIKey is CRUNECLYSSPCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S2/c1-11-3-2-4-16(23-11)19-14(10-22-24-19)12-5-6-15(20)13(9-12)17-7-8-18(27-17)28(21,25)26/h2-10H,1H3,(H,22,24)(H2,21,25,26).
What are the key properties of 5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]thiophene-2-sulfonamide?
5-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]thiophene-2-sulfonamide has a molecular weight of 414.49 g/mol, XLogP of 3.96, 4 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]thiophene-2-sulfonamide is sourced from PubChem (CID 11604032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).