4-chloro-N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrazole-5-sulfonamide

C8H6Cl3N5O2S — CID 106316289

IUPAC4-chloro-N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1ncnc(Cl)c1Cl
InChIInChI=1S/C8H6Cl3N5O2S/c1-16-8(4(9)2-14-16)19(17,18)15-7-5(10)6(11)12-3-13-7/h2-3H,1H3,(H,12,13,15)
InChIKeyQJGNWMJSFDRQFG-UHFFFAOYSA-N
MW342.60 g/mol
LogP1.97
Rot. Bonds3

About 4-chloro-N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrazole-5-sulfonamide

4-chloro-N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrazole-5-sulfonamide (PubChem CID 106316289) has the molecular formula C8H6Cl3N5O2S and a molecular weight of 342.60 g/mol. Its IUPAC name is 4-chloro-N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrazole-5-sulfonamide
PubChem CID106316289
Molecular FormulaC8H6Cl3N5O2S
Molecular Weight342.60 g/mol
Exact Mass340.93
IUPAC Name4-chloro-N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrazole-5-sulfonamide
SMILESCn1ncc(Cl)c1S(=O)(=O)Nc1ncnc(Cl)c1Cl
InChIInChI=1S/C8H6Cl3N5O2S/c1-16-8(4(9)2-14-16)19(17,18)15-7-5(10)6(11)12-3-13-7/h2-3H,1H3,(H,12,13,15)
InChIKeyQJGNWMJSFDRQFG-UHFFFAOYSA-N
XLogP1.97
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.60
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrrole-3-sulfonamide
CID 114049128
4-chloro-N-(5-iodo-2-pyridinyl)-1-methylpyrazole-5-sulfonamide
CID 106314666
4-chloro-N-(4-cyanophenyl)-1-methylpyrazole-5-sulfonamide
CID 106139096
5-amino-N-(5,6-dichloropyrimidin-4-yl)-1H-pyrazole-4-sulfonamide
CID 114049200
N-(5-amino-2-chlorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106313783
N-(3-bromo-5-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 114150340
4-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-N'-hydroxybenzenecarboximidamide
CID 106315690
4-chloro-N-(2-iodoethyl)-1-methylpyrazole-5-sulfonamide
CID 106316125
N-(4-bromo-2-methylphenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106139139
N-(2-bromo-6-chloro-4-fluorophenyl)-4-chloro-1-methylpyrazole-5-sulfonamide
CID 106314697
4-chloro-N-(3-hydroxyphenyl)-1-methylpyrazole-5-sulfonamide
CID 106139079
4-chloro-N-(4-hydroxy-2-methylphenyl)-1-methylpyrazole-5-sulfonamide
CID 106147360

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrazole-5-sulfonamide (CID 106316289) is 4-chloro-N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrazole-5-sulfonamide is Cn1ncc(Cl)c1S(=O)(=O)Nc1ncnc(Cl)c1Cl.
What is the InChIKey of 4-chloro-N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrazole-5-sulfonamide?
The InChIKey is QJGNWMJSFDRQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3N5O2S/c1-16-8(4(9)2-14-16)19(17,18)15-7-5(10)6(11)12-3-13-7/h2-3H,1H3,(H,12,13,15).
What are the key properties of 4-chloro-N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrazole-5-sulfonamide?
4-chloro-N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrazole-5-sulfonamide has a molecular weight of 342.60 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5,6-dichloropyrimidin-4-yl)-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106316289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).