N-(5-chloro-2-pyridinyl)-3-nitrobenzenesulfonamide

C11H8ClN3O4S — CID 2886168

IUPACN-(5-chloro-2-pyridinyl)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C11H8ClN3O4S/c12-8-4-5-11(13-7-8)14-20(18,19)10-3-1-2-9(6-10)15(16)17/h1-7H,(H,13,14)
InChIKeyNSDDEPUTDNJYIC-UHFFFAOYSA-N
MW313.72 g/mol
LogP2.44
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-3-nitrobenzenesulfonamide

N-(5-chloro-2-pyridinyl)-3-nitrobenzenesulfonamide (PubChem CID 2886168) has the molecular formula C11H8ClN3O4S and a molecular weight of 313.72 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-nitrobenzenesulfonamide
PubChem CID2886168
Molecular FormulaC11H8ClN3O4S
Molecular Weight313.72 g/mol
Exact Mass312.99
IUPAC NameN-(5-chloro-2-pyridinyl)-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C11H8ClN3O4S/c12-8-4-5-11(13-7-8)14-20(18,19)10-3-1-2-9(6-10)15(16)17/h1-7H,(H,13,14)
InChIKeyNSDDEPUTDNJYIC-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

N-{4-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}acetamide
CID 669666
4-chloro-N-(pyridin-2-yl)benzenesulfonamide
CID 224199
4-nitro-N-(pyridin-2-yl)benzenesulfonamide
CID 611709
N-(5-chloropyridin-2-yl)-4-fluorobenzenesulfonamide
CID 794044
N-(6-methylpyridin-2-yl)-3-nitrobenzenesulfonamide
CID 3105428
4-Chloro-N-(5-chloro-2-pyridinyl)benzenesulfonamide
CID 616967
N-(5-chloropyridin-2-yl)benzenesulfonamide
CID 555746
2-chloro-5-nitro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 16260080
2-[({2-Nitrophenyl}sulfanyl)amino]pyridine
CID 828163
4-chloro-N-(4-chloro-2-pyridinyl)benzenesulfonamide
CID 898366
2-(2,6-Dichloroanilino)-3-pyridinesulfonamide
CID 901910
2-(3-Chloroanilino)-3-pyridinesulfonamide
CID 902008

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-nitrobenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-nitrobenzenesulfonamide (CID 2886168) is N-(5-chloro-2-pyridinyl)-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-nitrobenzenesulfonamide?
The InChIKey is NSDDEPUTDNJYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3O4S/c12-8-4-5-11(13-7-8)14-20(18,19)10-3-1-2-9(6-10)15(16)17/h1-7H,(H,13,14).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-nitrobenzenesulfonamide?
N-(5-chloro-2-pyridinyl)-3-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)-3-nitrobenzenesulfonamide is sourced from PubChem (CID 2886168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).