4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide

C11H9ClN4O4S — CID 62144754

IUPAC4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H9ClN4O4S/c12-7-1-4-11(14-6-7)15-21(19,20)10-3-2-8(13)5-9(10)16(17)18/h1-6H,13H2,(H,14,15)
InChIKeyCYUIIJDGSZQUIE-UHFFFAOYSA-N
MW328.74 g/mol
LogP2.03
Rot. Bonds4

About 4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide

4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide (PubChem CID 62144754) has the molecular formula C11H9ClN4O4S and a molecular weight of 328.74 g/mol. Its IUPAC name is 4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide
PubChem CID62144754
Molecular FormulaC11H9ClN4O4S
Molecular Weight328.74 g/mol
Exact Mass328.00
IUPAC Name4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H9ClN4O4S/c12-7-1-4-11(14-6-7)15-21(19,20)10-3-2-8(13)5-9(10)16(17)18/h1-6H,13H2,(H,14,15)
InChIKeyCYUIIJDGSZQUIE-UHFFFAOYSA-N
XLogP2.03
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.74
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(5-chloro-2-pyridinyl)-2-methylbenzenesulfonamide
CID 28893400
4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide
CID 62144738
4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide
CID 116787794
4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62913798
4-amino-2,6-dichloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 43258680
4-amino-N-(5-bromo-2-pyridinyl)-2-chlorobenzenesulfonamide
CID 43114331
5-amino-2-fluoro-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 65481643
5-chloro-N-(5-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 839351
5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902722
N-(6-bromo-2-pyridinyl)-4-chloro-2-nitrobenzenesulfonamide
CID 43520687
N-(4-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 104821779
3,4-dichloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 74229116

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide?
The IUPAC name of 4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide (CID 62144754) is 4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide?
The InChIKey is CYUIIJDGSZQUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O4S/c12-7-1-4-11(14-6-7)15-21(19,20)10-3-2-8(13)5-9(10)16(17)18/h1-6H,13H2,(H,14,15).
What are the key properties of 4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide?
4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide has a molecular weight of 328.74 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 62144754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).