N-(6-amino-3-pyridinyl)-2-nitrobenzenesulfonamide

C11H10N4O4S — CID 60790657

IUPACN-(6-amino-3-pyridinyl)-2-nitrobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1
InChIInChI=1S/C11H10N4O4S/c12-11-6-5-8(7-13-11)14-20(18,19)10-4-2-1-3-9(10)15(16)17/h1-7,14H,(H2,12,13)
InChIKeyBMNKRCSVAJHNTO-UHFFFAOYSA-N
MW294.29 g/mol
LogP1.37
Rot. Bonds4

About N-(6-amino-3-pyridinyl)-2-nitrobenzenesulfonamide

N-(6-amino-3-pyridinyl)-2-nitrobenzenesulfonamide (PubChem CID 60790657) has the molecular formula C11H10N4O4S and a molecular weight of 294.29 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-2-nitrobenzenesulfonamide
PubChem CID60790657
Molecular FormulaC11H10N4O4S
Molecular Weight294.29 g/mol
Exact Mass294.04
IUPAC NameN-(6-amino-3-pyridinyl)-2-nitrobenzenesulfonamide
SMILESNc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1
InChIInChI=1S/C11H10N4O4S/c12-11-6-5-8(7-13-11)14-20(18,19)10-4-2-1-3-9(10)15(16)17/h1-7,14H,(H2,12,13)
InChIKeyBMNKRCSVAJHNTO-UHFFFAOYSA-N
XLogP1.37
TPSA128.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 51.37
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-(4-iodophenyl)-2-nitrobenzenesulfonamide
CID 1380183
N-(6-amino-3-pyridinyl)-2-methyl-5-nitrobenzenesulfonamide
CID 60792562
N-(3,5-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 779865
N-(3,5-dichlorophenyl)-2-nitrobenzenesulfonamide
CID 779344
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773
N-(3-bromo-4-fluorophenyl)-2-nitrobenzenesulfonamide
CID 115663224
(E)-3-[4-[(2-nitrophenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 2305897
N-(6-amino-3-pyridinyl)-2-cyanopyridine-3-sulfonamide
CID 106598402
N-(4-bromo-3-chlorophenyl)-2-nitrobenzenesulfonamide
CID 4876033
N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzenesulfonamide
CID 64787891
N-(1-ethylpyrazol-4-yl)-2-nitrobenzenesulfonamide
CID 39836912
2-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide
CID 17319807

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-2-nitrobenzenesulfonamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-2-nitrobenzenesulfonamide (CID 60790657) is N-(6-amino-3-pyridinyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-2-nitrobenzenesulfonamide is Nc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-2-nitrobenzenesulfonamide?
The InChIKey is BMNKRCSVAJHNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4S/c12-11-6-5-8(7-13-11)14-20(18,19)10-4-2-1-3-9(10)15(16)17/h1-7,14H,(H2,12,13).
What are the key properties of N-(6-amino-3-pyridinyl)-2-nitrobenzenesulfonamide?
N-(6-amino-3-pyridinyl)-2-nitrobenzenesulfonamide has a molecular weight of 294.29 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 60790657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).