N-(3-chloropyrazin-2-yl)-4-cyano-2-methylbenzenesulfonamide

C12H9ClN4O2S — CID 106999202

IUPACN-(3-chloropyrazin-2-yl)-4-cyano-2-methylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)Nc1nccnc1Cl
InChIInChI=1S/C12H9ClN4O2S/c1-8-6-9(7-14)2-3-10(8)20(18,19)17-12-11(13)15-4-5-16-12/h2-6H,1H3,(H,16,17)
InChIKeyRTMNTJGVWMVMFB-UHFFFAOYSA-N
MW308.75 g/mol
LogP2.11
Rot. Bonds3

About N-(3-chloropyrazin-2-yl)-4-cyano-2-methylbenzenesulfonamide

N-(3-chloropyrazin-2-yl)-4-cyano-2-methylbenzenesulfonamide (PubChem CID 106999202) has the molecular formula C12H9ClN4O2S and a molecular weight of 308.75 g/mol. Its IUPAC name is N-(3-chloropyrazin-2-yl)-4-cyano-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloropyrazin-2-yl)-4-cyano-2-methylbenzenesulfonamide
PubChem CID106999202
Molecular FormulaC12H9ClN4O2S
Molecular Weight308.75 g/mol
Exact Mass308.01
IUPAC NameN-(3-chloropyrazin-2-yl)-4-cyano-2-methylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)Nc1nccnc1Cl
InChIInChI=1S/C12H9ClN4O2S/c1-8-6-9(7-14)2-3-10(8)20(18,19)17-12-11(13)15-4-5-16-12/h2-6H,1H3,(H,16,17)
InChIKeyRTMNTJGVWMVMFB-UHFFFAOYSA-N
XLogP2.11
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloropyrazin-2-yl)-2-methylbenzenesulfonamide
CID 102990036
N-(5-amino-3-methyl-2-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996490
N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 107266798
N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103773290
N-(2-bromo-3-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103522055
N-(3-chloropropyl)-4-cyano-2-methylbenzenesulfonamide
CID 106998775
4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide
CID 103930776
4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959
N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103866062
N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996459
3-chloro-N-(3-chloropyrazin-2-yl)-4-cyanobenzenesulfonamide
CID 102990094
N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996447

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropyrazin-2-yl)-4-cyano-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-chloropyrazin-2-yl)-4-cyano-2-methylbenzenesulfonamide (CID 106999202) is N-(3-chloropyrazin-2-yl)-4-cyano-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloropyrazin-2-yl)-4-cyano-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-chloropyrazin-2-yl)-4-cyano-2-methylbenzenesulfonamide is Cc1cc(C#N)ccc1S(=O)(=O)Nc1nccnc1Cl.
What is the InChIKey of N-(3-chloropyrazin-2-yl)-4-cyano-2-methylbenzenesulfonamide?
The InChIKey is RTMNTJGVWMVMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2S/c1-8-6-9(7-14)2-3-10(8)20(18,19)17-12-11(13)15-4-5-16-12/h2-6H,1H3,(H,16,17).
What are the key properties of N-(3-chloropyrazin-2-yl)-4-cyano-2-methylbenzenesulfonamide?
N-(3-chloropyrazin-2-yl)-4-cyano-2-methylbenzenesulfonamide has a molecular weight of 308.75 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropyrazin-2-yl)-4-cyano-2-methylbenzenesulfonamide is sourced from PubChem (CID 106999202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).