N,4-dimethyl-3-nitro-N-pyrazin-2-ylbenzenesulfonamide

C12H12N4O4S — CID 99802703

IUPACN,4-dimethyl-3-nitro-N-pyrazin-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cnccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H12N4O4S/c1-9-3-4-10(7-11(9)16(17)18)21(19,20)15(2)12-8-13-5-6-14-12/h3-8H,1-2H3
InChIKeyRMXWBENEEAYRCD-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.52
Rot. Bonds4

About N,4-dimethyl-3-nitro-N-pyrazin-2-ylbenzenesulfonamide

N,4-dimethyl-3-nitro-N-pyrazin-2-ylbenzenesulfonamide (PubChem CID 99802703) has the molecular formula C12H12N4O4S and a molecular weight of 308.32 g/mol. Its IUPAC name is N,4-dimethyl-3-nitro-N-pyrazin-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-3-nitro-N-pyrazin-2-ylbenzenesulfonamide
PubChem CID99802703
Molecular FormulaC12H12N4O4S
Molecular Weight308.32 g/mol
Exact Mass308.06
IUPAC NameN,4-dimethyl-3-nitro-N-pyrazin-2-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cnccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H12N4O4S/c1-9-3-4-10(7-11(9)16(17)18)21(19,20)15(2)12-8-13-5-6-14-12/h3-8H,1-2H3
InChIKeyRMXWBENEEAYRCD-UHFFFAOYSA-N
XLogP1.52
TPSA106.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,4-dimethyl-3-nitro-N-pyrazin-2-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,4-dimethyl-3-nitro-N-phenylbenzenesulfonamide
CID 3323652
N,3-dimethyl-N-(6-methylpyridazin-3-yl)-4-nitrobenzenesulfonamide
CID 122151055
N-methyl-4-(methylsulfonylmethyl)-N-pyrazin-2-ylbenzenesulfonamide
CID 100631896
N,4-dimethyl-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 60606577
N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-nitrobenzenesulfonamide
CID 39794990
4-methyl-3-nitro-N,N-dipropylbenzenesulfonamide
CID 2836740
N-(3-chloro-4-methoxyphenyl)-N,4-dimethyl-3-nitrobenzenesulfonamide
CID 99628913
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,4-dimethyl-3-nitrobenzenesulfonamide
CID 8778170
N-ethyl-4-methyl-3-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 6736317
4-[methyl(pyrazin-2-ylmethyl)amino]-3-nitrobenzenesulfonamide
CID 133307729
N-cyclopropyl-N-ethyl-4-methyl-3-nitrobenzenesulfonamide
CID 24679119
N-(3,4-difluorophenyl)-4-methyl-N-(4-methyl-3-nitrophenyl)sulfonyl-3-nitrobenzenesulfonamide
CID 3827402

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-3-nitro-N-pyrazin-2-ylbenzenesulfonamide?
The IUPAC name of N,4-dimethyl-3-nitro-N-pyrazin-2-ylbenzenesulfonamide (CID 99802703) is N,4-dimethyl-3-nitro-N-pyrazin-2-ylbenzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-3-nitro-N-pyrazin-2-ylbenzenesulfonamide?
The canonical SMILES for N,4-dimethyl-3-nitro-N-pyrazin-2-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2cnccn2)cc1[N+](=O)[O-].
What is the InChIKey of N,4-dimethyl-3-nitro-N-pyrazin-2-ylbenzenesulfonamide?
The InChIKey is RMXWBENEEAYRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4S/c1-9-3-4-10(7-11(9)16(17)18)21(19,20)15(2)12-8-13-5-6-14-12/h3-8H,1-2H3.
What are the key properties of N,4-dimethyl-3-nitro-N-pyrazin-2-ylbenzenesulfonamide?
N,4-dimethyl-3-nitro-N-pyrazin-2-ylbenzenesulfonamide has a molecular weight of 308.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-3-nitro-N-pyrazin-2-ylbenzenesulfonamide is sourced from PubChem (CID 99802703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).