1,3-dimethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide

C9H11N5O2S — CID 6467341

IUPAC1,3-dimethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1ncccn1
InChIInChI=1S/C9H11N5O2S/c1-7-8(6-14(2)12-7)17(15,16)13-9-10-4-3-5-11-9/h3-6H,1-2H3,(H,10,11,13)
InChIKeyFBNGJLLQRXHBFL-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.32
Rot. Bonds3

About 1,3-dimethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide

1,3-dimethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide (PubChem CID 6467341) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 1,3-dimethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
PubChem CID6467341
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name1,3-dimethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)Nc1ncccn1
InChIInChI=1S/C9H11N5O2S/c1-7-8(6-14(2)12-7)17(15,16)13-9-10-4-3-5-11-9/h3-6H,1-2H3,(H,10,11,13)
InChIKeyFBNGJLLQRXHBFL-UHFFFAOYSA-N
XLogP0.32
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide (CID 6467341) is 1,3-dimethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)Nc1ncccn1.
What is the InChIKey of 1,3-dimethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide?
The InChIKey is FBNGJLLQRXHBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-7-8(6-14(2)12-7)17(15,16)13-9-10-4-3-5-11-9/h3-6H,1-2H3,(H,10,11,13).
What are the key properties of 1,3-dimethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide?
1,3-dimethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide has a molecular weight of 253.29 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-pyrimidin-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 6467341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).