3-acetyl-N-(3-chloropyrazin-2-yl)benzenesulfonamide

C12H10ClN3O3S — CID 102990181

IUPAC3-acetyl-N-(3-chloropyrazin-2-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2nccnc2Cl)c1
InChIInChI=1S/C12H10ClN3O3S/c1-8(17)9-3-2-4-10(7-9)20(18,19)16-12-11(13)14-5-6-15-12/h2-7H,1H3,(H,15,16)
InChIKeyNEZKGLYMKIFQPR-UHFFFAOYSA-N
MW311.75 g/mol
LogP2.13
Rot. Bonds4

About 3-acetyl-N-(3-chloropyrazin-2-yl)benzenesulfonamide

3-acetyl-N-(3-chloropyrazin-2-yl)benzenesulfonamide (PubChem CID 102990181) has the molecular formula C12H10ClN3O3S and a molecular weight of 311.75 g/mol. Its IUPAC name is 3-acetyl-N-(3-chloropyrazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(3-chloropyrazin-2-yl)benzenesulfonamide
PubChem CID102990181
Molecular FormulaC12H10ClN3O3S
Molecular Weight311.75 g/mol
Exact Mass311.01
IUPAC Name3-acetyl-N-(3-chloropyrazin-2-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2nccnc2Cl)c1
InChIInChI=1S/C12H10ClN3O3S/c1-8(17)9-3-2-4-10(7-9)20(18,19)16-12-11(13)14-5-6-15-12/h2-7H,1H3,(H,15,16)
InChIKeyNEZKGLYMKIFQPR-UHFFFAOYSA-N
XLogP2.13
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.75
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-N-(4-bromo-2-pyridinyl)benzenesulfonamide
CID 102671942
3-acetyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 62944136
3-acetyl-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 8504652
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970
3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775761
3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide
CID 43604435
3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951365
N-(4-acetylphenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 26663686
N-(3-methyl-2-pyridinyl)-3-propanoylbenzenesulfonamide
CID 60873792
3-acetylbenzenesulfonic acid;hydrochloride
CID 174615071
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
N-(3-chloropyrazin-2-yl)-4-methoxybenzenesulfonamide
CID 102989975

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(3-chloropyrazin-2-yl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(3-chloropyrazin-2-yl)benzenesulfonamide (CID 102990181) is 3-acetyl-N-(3-chloropyrazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(3-chloropyrazin-2-yl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(3-chloropyrazin-2-yl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2nccnc2Cl)c1.
What is the InChIKey of 3-acetyl-N-(3-chloropyrazin-2-yl)benzenesulfonamide?
The InChIKey is NEZKGLYMKIFQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O3S/c1-8(17)9-3-2-4-10(7-9)20(18,19)16-12-11(13)14-5-6-15-12/h2-7H,1H3,(H,15,16).
What are the key properties of 3-acetyl-N-(3-chloropyrazin-2-yl)benzenesulfonamide?
3-acetyl-N-(3-chloropyrazin-2-yl)benzenesulfonamide has a molecular weight of 311.75 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(3-chloropyrazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 102990181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).