N-(3-hydroxy-5-nitro-2-pyridinyl)-2-methoxy-4,5-dimethylbenzenesulfonamide

C14H15N3O6S — CID 110504719

IUPACN-(3-hydroxy-5-nitro-2-pyridinyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ncc([N+](=O)[O-])cc1O
InChIInChI=1S/C14H15N3O6S/c1-8-4-12(23-3)13(5-9(8)2)24(21,22)16-14-11(18)6-10(7-15-14)17(19)20/h4-7,18H,1-3H3,(H,15,16)
InChIKeyFDGJBFNUPBNMJX-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.12
Rot. Bonds5

About N-(3-hydroxy-5-nitro-2-pyridinyl)-2-methoxy-4,5-dimethylbenzenesulfonamide

N-(3-hydroxy-5-nitro-2-pyridinyl)-2-methoxy-4,5-dimethylbenzenesulfonamide (PubChem CID 110504719) has the molecular formula C14H15N3O6S and a molecular weight of 353.36 g/mol. Its IUPAC name is N-(3-hydroxy-5-nitro-2-pyridinyl)-2-methoxy-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-5-nitro-2-pyridinyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
PubChem CID110504719
Molecular FormulaC14H15N3O6S
Molecular Weight353.36 g/mol
Exact Mass353.07
IUPAC NameN-(3-hydroxy-5-nitro-2-pyridinyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(C)cc1S(=O)(=O)Nc1ncc([N+](=O)[O-])cc1O
InChIInChI=1S/C14H15N3O6S/c1-8-4-12(23-3)13(5-9(8)2)24(21,22)16-14-11(18)6-10(7-15-14)17(19)20/h4-7,18H,1-3H3,(H,15,16)
InChIKeyFDGJBFNUPBNMJX-UHFFFAOYSA-N
XLogP2.12
TPSA131.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

4-fluoro-N-(3-hydroxy-5-nitro-2-pyridinyl)benzenesulfonamide
CID 110504705
3-methoxy-N-methyl-5-nitropyridin-2-amine
CID 90022055
4-methoxy-2,5-dimethyl-N-(3-nitrophenyl)benzenesulfonamide
CID 94618191
N-[2-(methanesulfonamido)phenyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113093442
4-methoxy-3-[(2-methyl-5-nitrophenyl)sulfamoyl]benzoate
CID 4088975
N-(3-hydroxy-5-nitro-2-pyridinyl)propanamide
CID 110495915
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822841
N-(4-iodo-2-methylphenyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 60533112
2-methoxy-N,4,5-trimethylbenzenesulfonamide
CID 27243257
N-(2,4-dimethoxyphenyl)-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098643
2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3627288
2-methoxy-4,5-dimethylbenzenesulfonohydrazide
CID 82081811

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-5-nitro-2-pyridinyl)-2-methoxy-4,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-5-nitro-2-pyridinyl)-2-methoxy-4,5-dimethylbenzenesulfonamide (CID 110504719) is N-(3-hydroxy-5-nitro-2-pyridinyl)-2-methoxy-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-5-nitro-2-pyridinyl)-2-methoxy-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-5-nitro-2-pyridinyl)-2-methoxy-4,5-dimethylbenzenesulfonamide is COc1cc(C)c(C)cc1S(=O)(=O)Nc1ncc([N+](=O)[O-])cc1O.
What is the InChIKey of N-(3-hydroxy-5-nitro-2-pyridinyl)-2-methoxy-4,5-dimethylbenzenesulfonamide?
The InChIKey is FDGJBFNUPBNMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O6S/c1-8-4-12(23-3)13(5-9(8)2)24(21,22)16-14-11(18)6-10(7-15-14)17(19)20/h4-7,18H,1-3H3,(H,15,16).
What are the key properties of N-(3-hydroxy-5-nitro-2-pyridinyl)-2-methoxy-4,5-dimethylbenzenesulfonamide?
N-(3-hydroxy-5-nitro-2-pyridinyl)-2-methoxy-4,5-dimethylbenzenesulfonamide has a molecular weight of 353.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-5-nitro-2-pyridinyl)-2-methoxy-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 110504719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).