N-methyl-4-(methylsulfonylmethyl)-N-pyrazin-2-ylbenzenesulfonamide

C13H15N3O4S2 — CID 100631896

IUPACN-methyl-4-(methylsulfonylmethyl)-N-pyrazin-2-ylbenzenesulfonamide
SMILESCN(c1cnccn1)S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C13H15N3O4S2/c1-16(13-9-14-7-8-15-13)22(19,20)12-5-3-11(4-6-12)10-21(2,17)18/h3-9H,10H2,1-2H3
InChIKeyBCXZFLDNFKFNAQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP0.85
Rot. Bonds5

About N-methyl-4-(methylsulfonylmethyl)-N-pyrazin-2-ylbenzenesulfonamide

N-methyl-4-(methylsulfonylmethyl)-N-pyrazin-2-ylbenzenesulfonamide (PubChem CID 100631896) has the molecular formula C13H15N3O4S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-methyl-4-(methylsulfonylmethyl)-N-pyrazin-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(methylsulfonylmethyl)-N-pyrazin-2-ylbenzenesulfonamide
PubChem CID100631896
Molecular FormulaC13H15N3O4S2
Molecular Weight341.41 g/mol
Exact Mass341.05
IUPAC NameN-methyl-4-(methylsulfonylmethyl)-N-pyrazin-2-ylbenzenesulfonamide
SMILESCN(c1cnccn1)S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1
InChIInChI=1S/C13H15N3O4S2/c1-16(13-9-14-7-8-15-13)22(19,20)12-5-3-11(4-6-12)10-21(2,17)18/h3-9H,10H2,1-2H3
InChIKeyBCXZFLDNFKFNAQ-UHFFFAOYSA-N
XLogP0.85
TPSA97.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylsulfonylmethyl)-N-pyrazin-2-ylbenzenesulfonamide?
The IUPAC name of N-methyl-4-(methylsulfonylmethyl)-N-pyrazin-2-ylbenzenesulfonamide (CID 100631896) is N-methyl-4-(methylsulfonylmethyl)-N-pyrazin-2-ylbenzenesulfonamide.
What is the SMILES notation for N-methyl-4-(methylsulfonylmethyl)-N-pyrazin-2-ylbenzenesulfonamide?
The canonical SMILES for N-methyl-4-(methylsulfonylmethyl)-N-pyrazin-2-ylbenzenesulfonamide is CN(c1cnccn1)S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-4-(methylsulfonylmethyl)-N-pyrazin-2-ylbenzenesulfonamide?
The InChIKey is BCXZFLDNFKFNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S2/c1-16(13-9-14-7-8-15-13)22(19,20)12-5-3-11(4-6-12)10-21(2,17)18/h3-9H,10H2,1-2H3.
What are the key properties of N-methyl-4-(methylsulfonylmethyl)-N-pyrazin-2-ylbenzenesulfonamide?
N-methyl-4-(methylsulfonylmethyl)-N-pyrazin-2-ylbenzenesulfonamide has a molecular weight of 341.41 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylsulfonylmethyl)-N-pyrazin-2-ylbenzenesulfonamide is sourced from PubChem (CID 100631896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).