2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide

C11H7Cl2N3O4S — CID 115687701

IUPAC2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccn2)c(Cl)c1
InChIInChI=1S/C11H7Cl2N3O4S/c12-7-3-4-14-11(5-7)15-21(19,20)10-2-1-8(16(17)18)6-9(10)13/h1-6H,(H,14,15)
InChIKeyAYIKEWLDNXHQMS-UHFFFAOYSA-N
MW348.17 g/mol
LogP3.10
Rot. Bonds4

About 2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide

2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide (PubChem CID 115687701) has the molecular formula C11H7Cl2N3O4S and a molecular weight of 348.17 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide
PubChem CID115687701
Molecular FormulaC11H7Cl2N3O4S
Molecular Weight348.17 g/mol
Exact Mass346.95
IUPAC Name2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccn2)c(Cl)c1
InChIInChI=1S/C11H7Cl2N3O4S/c12-7-3-4-14-11(5-7)15-21(19,20)10-2-1-8(16(17)18)6-9(10)13/h1-6H,(H,14,15)
InChIKeyAYIKEWLDNXHQMS-UHFFFAOYSA-N
XLogP3.10
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(4-chloro-2-pyridinyl)-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

N-(4-chloro-2-pyridinyl)-2-fluoro-5-nitrobenzenesulfonamide
CID 104821758
2-chloro-N-(4-chloro-2-pyridinyl)-4-fluorobenzenesulfonamide
CID 113251215
N-(4-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 104821779
N-(4-chloro-2-pyridinyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115687638
N-(4-bromo-2-pyridinyl)-2-fluoro-4-nitrobenzenesulfonamide
CID 102671865
N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-4-nitrobenzenesulfonamide
CID 60783868
2-chloro-N-(4-chloro-2-pyridinyl)-5-cyanobenzenesulfonamide
CID 104821746
N-(3-bromophenyl)-2-chloro-4-nitrobenzenesulfonamide
CID 29054211
N-(3-chloropyrazin-2-yl)-2-fluoro-4-nitrobenzenesulfonamide
CID 102990213
2-amino-4-nitro-N-pyrazin-2-ylbenzenesulfonamide
CID 62146847
N-(4-chloro-2-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
CID 75456857
2-chloro-N-(4-ethyl-1H-pyrazol-5-yl)-4-nitrobenzenesulfonamide
CID 104620991

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide (CID 115687701) is 2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccn2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide?
The InChIKey is AYIKEWLDNXHQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O4S/c12-7-3-4-14-11(5-7)15-21(19,20)10-2-1-8(16(17)18)6-9(10)13/h1-6H,(H,14,15).
What are the key properties of 2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide?
2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide has a molecular weight of 348.17 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 115687701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).