2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-3-sulfonamide

C11H11ClN4O4S — CID 104599417

IUPAC2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-3-sulfonamide
SMILESCOc1cc(OC)nc(NS(=O)(=O)c2cccnc2Cl)n1
InChIInChI=1S/C11H11ClN4O4S/c1-19-8-6-9(20-2)15-11(14-8)16-21(17,18)7-4-3-5-13-10(7)12/h3-6H,1-2H3,(H,14,15,16)
InChIKeyKQYQHSFRIKAPBM-UHFFFAOYSA-N
MW330.75 g/mol
LogP1.34
Rot. Bonds5

About 2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-3-sulfonamide

2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-3-sulfonamide (PubChem CID 104599417) has the molecular formula C11H11ClN4O4S and a molecular weight of 330.75 g/mol. Its IUPAC name is 2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-3-sulfonamide
PubChem CID104599417
Molecular FormulaC11H11ClN4O4S
Molecular Weight330.75 g/mol
Exact Mass330.02
IUPAC Name2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-3-sulfonamide
SMILESCOc1cc(OC)nc(NS(=O)(=O)c2cccnc2Cl)n1
InChIInChI=1S/C11H11ClN4O4S/c1-19-8-6-9(20-2)15-11(14-8)16-21(17,18)7-4-3-5-13-10(7)12/h3-6H,1-2H3,(H,14,15,16)
InChIKeyKQYQHSFRIKAPBM-UHFFFAOYSA-N
XLogP1.34
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-chloro-3-pyridinyl)sulfonyl]-3-[4-(difluoromethoxy)-6-methoxypyrimidin-2-yl]urea
CID 88620758
2-chloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide
CID 43388263
2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide
CID 24621377
2-chloro-N-pyridin-2-ylpyridine-3-sulfonamide
CID 43415000
2-chloro-N-(2,6-dichlorophenyl)pyridine-3-sulfonamide
CID 60721815
2-chloro-N-(3-ethylphenyl)pyridine-3-sulfonamide
CID 24621325
3-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridine-2-sulfonamide
CID 107603209
2-chloro-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-sulfonamide
CID 61046080
2-chloro-N-(1-methoxypropan-2-yl)pyridine-3-sulfonamide
CID 43456724
2-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide
CID 61046258
2-chloro-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyridine-3-sulfonamide
CID 61217769
methyl 2-[(2-chloro-3-pyridinyl)sulfonylamino]benzoate
CID 43422913

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-3-sulfonamide (CID 104599417) is 2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-3-sulfonamide is COc1cc(OC)nc(NS(=O)(=O)c2cccnc2Cl)n1.
What is the InChIKey of 2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-3-sulfonamide?
The InChIKey is KQYQHSFRIKAPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O4S/c1-19-8-6-9(20-2)15-11(14-8)16-21(17,18)7-4-3-5-13-10(7)12/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-3-sulfonamide?
2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-3-sulfonamide has a molecular weight of 330.75 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,6-dimethoxypyrimidin-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 104599417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).