3-methoxy-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-sulfonamide

C12H11N5O3S2 — CID 75458369

IUPAC3-methoxy-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)Nc1cncnc1-n1cccn1
InChIInChI=1S/C12H11N5O3S2/c1-20-10-3-6-21-12(10)22(18,19)16-9-7-13-8-14-11(9)17-5-2-4-15-17/h2-8,16H,1H3
InChIKeyYKWGHFMZLPIVTF-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.53
Rot. Bonds5

About 3-methoxy-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-sulfonamide

3-methoxy-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-sulfonamide (PubChem CID 75458369) has the molecular formula C12H11N5O3S2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 3-methoxy-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-methoxy-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-sulfonamide
PubChem CID75458369
Molecular FormulaC12H11N5O3S2
Molecular Weight337.39 g/mol
Exact Mass337.03
IUPAC Name3-methoxy-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-sulfonamide
SMILESCOc1ccsc1S(=O)(=O)Nc1cncnc1-n1cccn1
InChIInChI=1S/C12H11N5O3S2/c1-20-10-3-6-21-12(10)22(18,19)16-9-7-13-8-14-11(9)17-5-2-4-15-17/h2-8,16H,1H3
InChIKeyYKWGHFMZLPIVTF-UHFFFAOYSA-N
XLogP1.53
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-sulfonamide?
The IUPAC name of 3-methoxy-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-sulfonamide (CID 75458369) is 3-methoxy-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-methoxy-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for 3-methoxy-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-sulfonamide is COc1ccsc1S(=O)(=O)Nc1cncnc1-n1cccn1.
What is the InChIKey of 3-methoxy-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-sulfonamide?
The InChIKey is YKWGHFMZLPIVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O3S2/c1-20-10-3-6-21-12(10)22(18,19)16-9-7-13-8-14-11(9)17-5-2-4-15-17/h2-8,16H,1H3.
What are the key properties of 3-methoxy-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-sulfonamide?
3-methoxy-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-sulfonamide has a molecular weight of 337.39 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 75458369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).