N-(3-chloropyrazin-2-yl)-1-methylpyrazole-4-sulfonamide

C8H8ClN5O2S — CID 102990156

IUPACN-(3-chloropyrazin-2-yl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2nccnc2Cl)cn1
InChIInChI=1S/C8H8ClN5O2S/c1-14-5-6(4-12-14)17(15,16)13-8-7(9)10-2-3-11-8/h2-5H,1H3,(H,11,13)
InChIKeyOMKPYUOLKPAUOL-UHFFFAOYSA-N
MW273.71 g/mol
LogP0.66
Rot. Bonds3

About N-(3-chloropyrazin-2-yl)-1-methylpyrazole-4-sulfonamide

N-(3-chloropyrazin-2-yl)-1-methylpyrazole-4-sulfonamide (PubChem CID 102990156) has the molecular formula C8H8ClN5O2S and a molecular weight of 273.71 g/mol. Its IUPAC name is N-(3-chloropyrazin-2-yl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chloropyrazin-2-yl)-1-methylpyrazole-4-sulfonamide
PubChem CID102990156
Molecular FormulaC8H8ClN5O2S
Molecular Weight273.71 g/mol
Exact Mass273.01
IUPAC NameN-(3-chloropyrazin-2-yl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2nccnc2Cl)cn1
InChIInChI=1S/C8H8ClN5O2S/c1-14-5-6(4-12-14)17(15,16)13-8-7(9)10-2-3-11-8/h2-5H,1H3,(H,11,13)
InChIKeyOMKPYUOLKPAUOL-UHFFFAOYSA-N
XLogP0.66
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.71
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropyrazin-2-yl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-chloropyrazin-2-yl)-1-methylpyrazole-4-sulfonamide (CID 102990156) is N-(3-chloropyrazin-2-yl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-chloropyrazin-2-yl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-chloropyrazin-2-yl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2nccnc2Cl)cn1.
What is the InChIKey of N-(3-chloropyrazin-2-yl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is OMKPYUOLKPAUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5O2S/c1-14-5-6(4-12-14)17(15,16)13-8-7(9)10-2-3-11-8/h2-5H,1H3,(H,11,13).
What are the key properties of N-(3-chloropyrazin-2-yl)-1-methylpyrazole-4-sulfonamide?
N-(3-chloropyrazin-2-yl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 273.71 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropyrazin-2-yl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 102990156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).