2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyridine-4-sulfonamide

C13H17ClN4O2S — CID 61042421

IUPAC2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyridine-4-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H17ClN4O2S/c1-8(2)18-10(4)13(9(3)16-18)17-21(19,20)11-5-6-15-12(14)7-11/h5-8,17H,1-4H3
InChIKeyVBKZMGDYTUDKNF-UHFFFAOYSA-N
MW328.83 g/mol
LogP2.93
Rot. Bonds4

About 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyridine-4-sulfonamide

2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyridine-4-sulfonamide (PubChem CID 61042421) has the molecular formula C13H17ClN4O2S and a molecular weight of 328.83 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyridine-4-sulfonamide
PubChem CID61042421
Molecular FormulaC13H17ClN4O2S
Molecular Weight328.83 g/mol
Exact Mass328.08
IUPAC Name2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyridine-4-sulfonamide
SMILESCc1nn(C(C)C)c(C)c1NS(=O)(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H17ClN4O2S/c1-8(2)18-10(4)13(9(3)16-18)17-21(19,20)11-5-6-15-12(14)7-11/h5-8,17H,1-4H3
InChIKeyVBKZMGDYTUDKNF-UHFFFAOYSA-N
XLogP2.93
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 52.93
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-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide
CID 61053156
2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide
CID 61004569
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 55902007
2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 54895572
2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-4-sulfonamide
CID 82819125
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 71890317
4-tert-butyl-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2,6-dimethylbenzenesulfonamide
CID 55900859
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 63000145
N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide
CID 79734611
2-chloro-N-(3,3-dimethylbutan-2-yl)pyridine-4-sulfonamide
CID 104828022
2-chloro-N-(1-methoxypropan-2-yl)pyridine-4-sulfonamide
CID 61004005
2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide
CID 54895530

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyridine-4-sulfonamide (CID 61042421) is 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyridine-4-sulfonamide is Cc1nn(C(C)C)c(C)c1NS(=O)(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyridine-4-sulfonamide?
The InChIKey is VBKZMGDYTUDKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2S/c1-8(2)18-10(4)13(9(3)16-18)17-21(19,20)11-5-6-15-12(14)7-11/h5-8,17H,1-4H3.
What are the key properties of 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyridine-4-sulfonamide?
2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyridine-4-sulfonamide has a molecular weight of 328.83 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyridine-4-sulfonamide is sourced from PubChem (CID 61042421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).