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

C11H8ClN3O4S — CID 619090

IUPACN-(5-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C11H8ClN3O4S/c12-8-1-6-11(13-7-8)14-20(18,19)10-4-2-9(3-5-10)15(16)17/h1-7H,(H,13,14)
InChIKeyYTCYUIMRGPHUKD-UHFFFAOYSA-N
MW313.72 g/mol
LogP2.44
Rot. Bonds4

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

N-(5-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide (PubChem CID 619090) has the molecular formula C11H8ClN3O4S and a molecular weight of 313.72 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide
PubChem CID619090
Molecular FormulaC11H8ClN3O4S
Molecular Weight313.72 g/mol
Exact Mass312.99
IUPAC NameN-(5-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/C11H8ClN3O4S/c12-8-1-6-11(13-7-8)14-20(18,19)10-4-2-9(3-5-10)15(16)17/h1-7H,(H,13,14)
InChIKeyYTCYUIMRGPHUKD-UHFFFAOYSA-N
XLogP2.44
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.72
LogP ≤ 52.44
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'}

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Related Compounds

Sulfapyridine
CID 5336
N-{4-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}acetamide
CID 669666
Sulfapyridine Sodium
CID 23667654
4-chloro-N-(pyridin-2-yl)benzenesulfonamide
CID 224199
4-nitro-N-(pyridin-2-yl)benzenesulfonamide
CID 611709
N-(6-methylpyridin-2-yl)-4-nitrobenzenesulfonamide
CID 776892
N-(5-chloropyridin-2-yl)-4-fluorobenzenesulfonamide
CID 794044
4-Nitrobenzenesulfonic acid 2-(3-nitro-2-pyridinyl)hydrazide
CID 5052243
4-Chloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 616967
N-(5-chloropyridin-2-yl)benzenesulfonamide
CID 555746
N-(5-chloropyridin-2-yl)-4-methylbenzenesulfonamide
CID 812019
2-[({2-Nitrophenyl}sulfanyl)amino]pyridine
CID 828163

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide (CID 619090) is N-(5-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide?
The InChIKey is YTCYUIMRGPHUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O4S/c12-8-1-6-11(13-7-8)14-20(18,19)10-4-2-9(3-5-10)15(16)17/h1-7H,(H,13,14).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide?
N-(5-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide has a molecular weight of 313.72 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 619090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).