2-chloro-N-(4-chloro-2-pyridinyl)pyrimidine-5-sulfonamide

C9H6Cl2N4O2S — CID 114052244

IUPAC2-chloro-N-(4-chloro-2-pyridinyl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccn1)c1cnc(Cl)nc1
InChIInChI=1S/C9H6Cl2N4O2S/c10-6-1-2-12-8(3-6)15-18(16,17)7-4-13-9(11)14-5-7/h1-5H,(H,12,15)
InChIKeyHBCCUTYVZRIWOL-UHFFFAOYSA-N
MW305.15 g/mol
LogP1.98
Rot. Bonds3

About 2-chloro-N-(4-chloro-2-pyridinyl)pyrimidine-5-sulfonamide

2-chloro-N-(4-chloro-2-pyridinyl)pyrimidine-5-sulfonamide (PubChem CID 114052244) has the molecular formula C9H6Cl2N4O2S and a molecular weight of 305.15 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-2-pyridinyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-2-pyridinyl)pyrimidine-5-sulfonamide
PubChem CID114052244
Molecular FormulaC9H6Cl2N4O2S
Molecular Weight305.15 g/mol
Exact Mass303.96
IUPAC Name2-chloro-N-(4-chloro-2-pyridinyl)pyrimidine-5-sulfonamide
SMILESO=S(=O)(Nc1cc(Cl)ccn1)c1cnc(Cl)nc1
InChIInChI=1S/C9H6Cl2N4O2S/c10-6-1-2-12-8(3-6)15-18(16,17)7-4-13-9(11)14-5-7/h1-5H,(H,12,15)
InChIKeyHBCCUTYVZRIWOL-UHFFFAOYSA-N
XLogP1.98
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(chloromethyl)-N-(4-chloro-2-pyridinyl)benzenesulfonamide
CID 114279820
N-(4-chloro-2-pyridinyl)-1-methylpyrazole-4-sulfonamide
CID 71972209
N-(4-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
CID 115679391
N-(4-chloro-2-pyridinyl)sulfamoyl chloride
CID 84760693
4-chloro-N-(methylsulfamoyl)pyridin-2-amine
CID 114813660
2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyrimidine-5-sulfonamide
CID 65489476
N-(4-chloro-2-pyridinyl)pyrrolidine-1-sulfonamide
CID 104821716
N-(4-chloro-2-pyridinyl)-5-cyanothiophene-2-sulfonamide
CID 106273428
2-chloro-N-(4-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide
CID 113251215
N-(4-chloro-2-pyridinyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 115687703
N-(4-chloro-2-pyridinyl)azepane-1-sulfonamide
CID 104821771
2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide
CID 104821746

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-2-pyridinyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-chloro-N-(4-chloro-2-pyridinyl)pyrimidine-5-sulfonamide (CID 114052244) is 2-chloro-N-(4-chloro-2-pyridinyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-2-pyridinyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-chloro-2-pyridinyl)pyrimidine-5-sulfonamide is O=S(=O)(Nc1cc(Cl)ccn1)c1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-N-(4-chloro-2-pyridinyl)pyrimidine-5-sulfonamide?
The InChIKey is HBCCUTYVZRIWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N4O2S/c10-6-1-2-12-8(3-6)15-18(16,17)7-4-13-9(11)14-5-7/h1-5H,(H,12,15).
What are the key properties of 2-chloro-N-(4-chloro-2-pyridinyl)pyrimidine-5-sulfonamide?
2-chloro-N-(4-chloro-2-pyridinyl)pyrimidine-5-sulfonamide has a molecular weight of 305.15 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-2-pyridinyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 114052244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).