N-(5-chloropyrazin-2-yl)-2-methyl-4-nitrobenzenesulfonamide

C11H9ClN4O4S — CID 103278280

IUPACN-(5-chloropyrazin-2-yl)-2-methyl-4-nitrobenzenesulfonamide
SMILESCc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnc(Cl)cn1
InChIInChI=1S/C11H9ClN4O4S/c1-7-4-8(16(17)18)2-3-9(7)21(19,20)15-11-6-13-10(12)5-14-11/h2-6H,1H3,(H,14,15)
InChIKeyWMTGPFAUMQZVMI-UHFFFAOYSA-N
MW328.74 g/mol
LogP2.15
Rot. Bonds4

About N-(5-chloropyrazin-2-yl)-2-methyl-4-nitrobenzenesulfonamide

N-(5-chloropyrazin-2-yl)-2-methyl-4-nitrobenzenesulfonamide (PubChem CID 103278280) has the molecular formula C11H9ClN4O4S and a molecular weight of 328.74 g/mol. Its IUPAC name is N-(5-chloropyrazin-2-yl)-2-methyl-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloropyrazin-2-yl)-2-methyl-4-nitrobenzenesulfonamide
PubChem CID103278280
Molecular FormulaC11H9ClN4O4S
Molecular Weight328.74 g/mol
Exact Mass328.00
IUPAC NameN-(5-chloropyrazin-2-yl)-2-methyl-4-nitrobenzenesulfonamide
SMILESCc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnc(Cl)cn1
InChIInChI=1S/C11H9ClN4O4S/c1-7-4-8(16(17)18)2-3-9(7)21(19,20)15-11-6-13-10(12)5-14-11/h2-6H,1H3,(H,14,15)
InChIKeyWMTGPFAUMQZVMI-UHFFFAOYSA-N
XLogP2.15
TPSA115.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.74
LogP ≤ 52.15
H-Bond Donors ≤ 51
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-(5-chloropyrazin-2-yl)-2-methyl-4-nitrobenzenesulfonamide 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

2-chloro-N-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide
CID 103278221
N,2-dimethyl-4-nitrobenzenesulfonamide
CID 37477651
4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide
CID 103580611
N-(5-chloropyrazin-2-yl)-2,5-dimethylfuran-3-sulfonamide
CID 86807360
N-(5-bromo-2-pyridinyl)-2-chloro-5-nitrobenzenesulfonamide
CID 43389509
2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide
CID 115687701
2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide
CID 62146847
azanium 2-methyl-4-nitrobenzenesulfonate
CID 163648407
sodium 2-methyl-4-nitrobenzenesulfonate
CID 517339
2,2-dimethyl-N-(2-methyl-4-nitrophenyl)sulfonylpropanamide
CID 47295985
N-(1-amino-2-methylpropan-2-yl)-2-methyl-4-nitrobenzenesulfonamide
CID 63194182
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-4-nitrobenzenesulfonamide
CID 114631548

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrazin-2-yl)-2-methyl-4-nitrobenzenesulfonamide?
The IUPAC name of N-(5-chloropyrazin-2-yl)-2-methyl-4-nitrobenzenesulfonamide (CID 103278280) is N-(5-chloropyrazin-2-yl)-2-methyl-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(5-chloropyrazin-2-yl)-2-methyl-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(5-chloropyrazin-2-yl)-2-methyl-4-nitrobenzenesulfonamide is Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnc(Cl)cn1.
What is the InChIKey of N-(5-chloropyrazin-2-yl)-2-methyl-4-nitrobenzenesulfonamide?
The InChIKey is WMTGPFAUMQZVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O4S/c1-7-4-8(16(17)18)2-3-9(7)21(19,20)15-11-6-13-10(12)5-14-11/h2-6H,1H3,(H,14,15).
What are the key properties of N-(5-chloropyrazin-2-yl)-2-methyl-4-nitrobenzenesulfonamide?
N-(5-chloropyrazin-2-yl)-2-methyl-4-nitrobenzenesulfonamide has a molecular weight of 328.74 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrazin-2-yl)-2-methyl-4-nitrobenzenesulfonamide is sourced from PubChem (CID 103278280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).