N-(5-chloropyrazin-2-yl)-2,2-dimethylpropane-1-sulfonamide

C9H14ClN3O2S — CID 107596007

IUPACN-(5-chloropyrazin-2-yl)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)Nc1cnc(Cl)cn1
InChIInChI=1S/C9H14ClN3O2S/c1-9(2,3)6-16(14,15)13-8-5-11-7(10)4-12-8/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyHHTQNBAKNIJVTP-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.92
Rot. Bonds3

About N-(5-chloropyrazin-2-yl)-2,2-dimethylpropane-1-sulfonamide

N-(5-chloropyrazin-2-yl)-2,2-dimethylpropane-1-sulfonamide (PubChem CID 107596007) has the molecular formula C9H14ClN3O2S and a molecular weight of 263.75 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-2,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-2,2-dimethylpropane-1-sulfonamide
PubChem CID107596007
Molecular FormulaC9H14ClN3O2S
Molecular Weight263.75 g/mol
Exact Mass263.05
IUPAC NameN-(5-chloropyrazin-2-yl)-2,2-dimethylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)Nc1cnc(Cl)cn1
InChIInChI=1S/C9H14ClN3O2S/c1-9(2,3)6-16(14,15)13-8-5-11-7(10)4-12-8/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyHHTQNBAKNIJVTP-UHFFFAOYSA-N
XLogP1.92
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-2,2-dimethylpropane-1-sulfonamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-2,2-dimethylpropane-1-sulfonamide (CID 107596007) is N-(5-chloropyrazin-2-yl)-2,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-2,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-2,2-dimethylpropane-1-sulfonamide is CC(C)(C)CS(=O)(=O)Nc1cnc(Cl)cn1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-2,2-dimethylpropane-1-sulfonamide?
The InChIKey is HHTQNBAKNIJVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2S/c1-9(2,3)6-16(14,15)13-8-5-11-7(10)4-12-8/h4-5H,6H2,1-3H3,(H,12,13).
What are the key properties of N-(5-chloropyrazin-2-yl)-2,2-dimethylpropane-1-sulfonamide?
N-(5-chloropyrazin-2-yl)-2,2-dimethylpropane-1-sulfonamide has a molecular weight of 263.75 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)-2,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 107596007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).