N-(6-chloropyrazin-2-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide

C13H14ClN3O3S — CID 104821123

IUPACN-(6-chloropyrazin-2-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cncc(Cl)n2)c(C)c1
InChIInChI=1S/C13H14ClN3O3S/c1-8-4-10(20-3)5-9(2)13(8)21(18,19)17-12-7-15-6-11(14)16-12/h4-7H,1-3H3,(H,16,17)
InChIKeyALNALDPUVJGHNT-UHFFFAOYSA-N
MW327.79 g/mol
LogP2.56
Rot. Bonds4

About N-(6-chloropyrazin-2-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide

N-(6-chloropyrazin-2-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide (PubChem CID 104821123) has the molecular formula C13H14ClN3O3S and a molecular weight of 327.79 g/mol. Its IUPAC name is N-(6-chloropyrazin-2-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloropyrazin-2-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide
PubChem CID104821123
Molecular FormulaC13H14ClN3O3S
Molecular Weight327.79 g/mol
Exact Mass327.04
IUPAC NameN-(6-chloropyrazin-2-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)Nc2cncc(Cl)n2)c(C)c1
InChIInChI=1S/C13H14ClN3O3S/c1-8-4-10(20-3)5-9(2)13(8)21(18,19)17-12-7-15-6-11(14)16-12/h4-7H,1-3H3,(H,16,17)
InChIKeyALNALDPUVJGHNT-UHFFFAOYSA-N
XLogP2.56
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 104821077
5-chloro-N-(6-chloropyrazin-2-yl)-4-methylthiophene-2-sulfonamide
CID 103100875
N-(6-chloropyrazin-2-yl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113456930
2-chloro-N-(6-chloropyrazin-2-yl)-4-methylbenzenesulfonamide
CID 113456936
N-(5-ethyl-1H-pyrazol-3-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide
CID 115750892
N-(6-chloropyrazin-2-yl)-4-propan-2-ylbenzenesulfonamide
CID 104821005
2-chloro-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide
CID 104821040
N-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 104821325
4-methoxy-2,6-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 110729090
N-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 104821363
2-bromo-N-(6-chloropyrazin-2-yl)-4-fluorobenzenesulfonamide
CID 113456932
2-[(4-methoxy-2,6-dimethylphenyl)sulfonylamino]propanoic acid
CID 43169502

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrazin-2-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(6-chloropyrazin-2-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide (CID 104821123) is N-(6-chloropyrazin-2-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(6-chloropyrazin-2-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(6-chloropyrazin-2-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)Nc2cncc(Cl)n2)c(C)c1.
What is the InChIKey of N-(6-chloropyrazin-2-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide?
The InChIKey is ALNALDPUVJGHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3S/c1-8-4-10(20-3)5-9(2)13(8)21(18,19)17-12-7-15-6-11(14)16-12/h4-7H,1-3H3,(H,16,17).
What are the key properties of N-(6-chloropyrazin-2-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide?
N-(6-chloropyrazin-2-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide has a molecular weight of 327.79 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrazin-2-yl)-4-methoxy-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 104821123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).