N-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide

C11H10ClN3O2S — CID 102990036

IUPACN-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1nccnc1Cl
InChIInChI=1S/C11H10ClN3O2S/c1-8-4-2-3-5-9(8)18(16,17)15-11-10(12)13-6-7-14-11/h2-7H,1H3,(H,14,15)
InChIKeyJMBGRGGSXWCDCO-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.24
Rot. Bonds3

About N-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide

N-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide (PubChem CID 102990036) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is N-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide
PubChem CID102990036
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC NameN-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1nccnc1Cl
InChIInChI=1S/C11H10ClN3O2S/c1-8-4-2-3-5-9(8)18(16,17)15-11-10(12)13-6-7-14-11/h2-7H,1H3,(H,14,15)
InChIKeyJMBGRGGSXWCDCO-UHFFFAOYSA-N
XLogP2.24
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide (CID 102990036) is N-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1nccnc1Cl.
What is the InChIKey of N-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide?
The InChIKey is JMBGRGGSXWCDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-8-4-2-3-5-9(8)18(16,17)15-11-10(12)13-6-7-14-11/h2-7H,1H3,(H,14,15).
What are the key properties of N-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide?
N-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide has a molecular weight of 283.74 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 102990036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).