N-(6-chloropyrazin-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C9H9ClN4O3S — CID 113456930

IUPACN-(6-chloropyrazin-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cncc(Cl)n1
InChIInChI=1S/C9H9ClN4O3S/c1-5-9(6(2)17-13-5)18(15,16)14-8-4-11-3-7(10)12-8/h3-4H,1-2H3,(H,12,14)
InChIKeyMHJHTGMGVSFDDO-UHFFFAOYSA-N
MW288.72 g/mol
LogP1.54
Rot. Bonds3

About N-(6-chloropyrazin-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-(6-chloropyrazin-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 113456930) has the molecular formula C9H9ClN4O3S and a molecular weight of 288.72 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID113456930
Molecular FormulaC9H9ClN4O3S
Molecular Weight288.72 g/mol
Exact Mass288.01
IUPAC NameN-(6-chloropyrazin-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)Nc1cncc(Cl)n1
InChIInChI=1S/C9H9ClN4O3S/c1-5-9(6(2)17-13-5)18(15,16)14-8-4-11-3-7(10)12-8/h3-4H,1-2H3,(H,12,14)
InChIKeyMHJHTGMGVSFDDO-UHFFFAOYSA-N
XLogP1.54
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.72
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 104821077
N-(6-chloropyrazin-2-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 104821123
N-(6-chloro-3-pyridinyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 25047869
3,5-dimethyl-N-(5-methyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
CID 110727384
3,5-dimethyl-N-(2,3,5,6-tetramethylphenyl)-1,2-oxazole-4-sulfonamide
CID 110776931
5-chloro-N-(6-chloropyrazin-2-yl)-4-methylthiophene-2-sulfonamide
CID 103100875
N-(6-chloropyrazin-2-yl)-4-propan-2-ylbenzenesulfonamide
CID 104821005
N-(2-chloro-4-fluorophenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 8002095
3,5-dimethyl-N-(6-methylsulfanyl-3-pyridinyl)-1,2-oxazole-4-sulfonamide
CID 71878682
N-(4-chloro-5-hydroxy-2-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 39853829
N-(3-iodo-2-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113368492
3,5-dimethyl-N-[4-(4-methylanilino)phenyl]-1,2-oxazole-4-sulfonamide
CID 112986072

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 113456930) is N-(6-chloropyrazin-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)Nc1cncc(Cl)n1.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is MHJHTGMGVSFDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O3S/c1-5-9(6(2)17-13-5)18(15,16)14-8-4-11-3-7(10)12-8/h3-4H,1-2H3,(H,12,14).
What are the key properties of N-(6-chloropyrazin-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-(6-chloropyrazin-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 288.72 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 113456930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).