6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

C11H13ClN4O2S — CID 7677840

IUPAC6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN4O2S/c1-7-11(8(2)16(3)14-7)15-19(17,18)9-4-5-10(12)13-6-9/h4-6,15H,1-3H3
InChIKeyBOEMFNBZIJZNDQ-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.89
Rot. Bonds3

About 6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 7677840) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is 6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID7677840
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC Name6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN4O2S/c1-7-11(8(2)16(3)14-7)15-19(17,18)9-4-5-10(12)13-6-9/h4-6,15H,1-3H3
InChIKeyBOEMFNBZIJZNDQ-UHFFFAOYSA-N
XLogP1.89
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 7677840) is 6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is BOEMFNBZIJZNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-7-11(8(2)16(3)14-7)15-19(17,18)9-4-5-10(12)13-6-9/h4-6,15H,1-3H3.
What are the key properties of 6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 300.77 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 7677840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).