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

C11H13ClN4O2S — CID 61053156

IUPAC2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H13ClN4O2S/c1-7-11(8(2)16(3)14-7)15-19(17,18)9-4-5-13-10(12)6-9/h4-6,15H,1-3H3
InChIKeyWZCZYNUQBZHYQV-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.89
Rot. Bonds3

About 2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide

2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide (PubChem CID 61053156) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is 2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide
PubChem CID61053156
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC Name2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C11H13ClN4O2S/c1-7-11(8(2)16(3)14-7)15-19(17,18)9-4-5-13-10(12)6-9/h4-6,15H,1-3H3
InChIKeyWZCZYNUQBZHYQV-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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Related Compounds

2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyridine-4-sulfonamide
CID 61042421
2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide
CID 61004569
3-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,3-disulfonamide
CID 18292001
2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 54895572
4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3716725
N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 17426352
2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-4-sulfonamide
CID 82819125
N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide
CID 79734611
3-methyl-4-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 166213875
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)pyridine-4-sulfonamide
CID 107462605
2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide
CID 54895530
5-bromo-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
CID 61298899

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide (CID 61053156) is 2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide?
The InChIKey is WZCZYNUQBZHYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-7-11(8(2)16(3)14-7)15-19(17,18)9-4-5-13-10(12)6-9/h4-6,15H,1-3H3.
What are the key properties of 2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide?
2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-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 2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide is sourced from PubChem (CID 61053156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).