4-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrazole-3-sulfonamide

C14H14N4O3S2 — CID 150399131

IUPAC4-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrazole-3-sulfonamide
SMILESCOc1ccc(Cc2cn(-c3nccs3)nc2S(N)(=O)=O)cc1
InChIInChI=1S/C14H14N4O3S2/c1-21-12-4-2-10(3-5-12)8-11-9-18(14-16-6-7-22-14)17-13(11)23(15,19)20/h2-7,9H,8H2,1H3,(H2,15,19,20)
InChIKeyHDJOTOAQLLQFEN-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.58
Rot. Bonds5

About 4-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrazole-3-sulfonamide

4-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrazole-3-sulfonamide (PubChem CID 150399131) has the molecular formula C14H14N4O3S2 and a molecular weight of 350.43 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrazole-3-sulfonamide
PubChem CID150399131
Molecular FormulaC14H14N4O3S2
Molecular Weight350.43 g/mol
Exact Mass350.05
IUPAC Name4-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrazole-3-sulfonamide
SMILESCOc1ccc(Cc2cn(-c3nccs3)nc2S(N)(=O)=O)cc1
InChIInChI=1S/C14H14N4O3S2/c1-21-12-4-2-10(3-5-12)8-11-9-18(14-16-6-7-22-14)17-13(11)23(15,19)20/h2-7,9H,8H2,1H3,(H2,15,19,20)
InChIKeyHDJOTOAQLLQFEN-UHFFFAOYSA-N
XLogP1.58
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrazole-3-sulfonamide?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrazole-3-sulfonamide (CID 150399131) is 4-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrazole-3-sulfonamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrazole-3-sulfonamide?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrazole-3-sulfonamide is COc1ccc(Cc2cn(-c3nccs3)nc2S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrazole-3-sulfonamide?
The InChIKey is HDJOTOAQLLQFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3S2/c1-21-12-4-2-10(3-5-12)8-11-9-18(14-16-6-7-22-14)17-13(11)23(15,19)20/h2-7,9H,8H2,1H3,(H2,15,19,20).
What are the key properties of 4-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrazole-3-sulfonamide?
4-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrazole-3-sulfonamide has a molecular weight of 350.43 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrazole-3-sulfonamide is sourced from PubChem (CID 150399131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).