N,2-dimethyl-5-nitro-N-[(E)-pyrazolo[1,5-a]pyridin-3-ylmethylideneamino]benzenesulfonamide

C16H15N5O4S — CID 25171641

IUPACN,2-dimethyl-5-nitro-N-[(E)-pyrazolo[1,5-a]pyridin-3-ylmethylideneamino]benzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnn2ccccc12
InChIInChI=1S/C16H15N5O4S/c1-12-6-7-14(21(22)23)9-16(12)26(24,25)19(2)17-10-13-11-18-20-8-4-3-5-15(13)20/h3-11H,1-2H3/b17-10+
InChIKeyRUBBXXFQGVQOIZ-LICLKQGHSA-N
MW373.39 g/mol
LogP2.21
Rot. Bonds5

About N,2-dimethyl-5-nitro-N-[(E)-pyrazolo[1,5-a]pyridin-3-ylmethylideneamino]benzenesulfonamide

N,2-dimethyl-5-nitro-N-[(E)-pyrazolo[1,5-a]pyridin-3-ylmethylideneamino]benzenesulfonamide (PubChem CID 25171641) has the molecular formula C16H15N5O4S and a molecular weight of 373.39 g/mol. Its IUPAC name is N,2-dimethyl-5-nitro-N-[(E)-pyrazolo[1,5-a]pyridin-3-ylmethylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-5-nitro-N-[(E)-pyrazolo[1,5-a]pyridin-3-ylmethylideneamino]benzenesulfonamide
PubChem CID25171641
Molecular FormulaC16H15N5O4S
Molecular Weight373.39 g/mol
Exact Mass373.08
IUPAC NameN,2-dimethyl-5-nitro-N-[(E)-pyrazolo[1,5-a]pyridin-3-ylmethylideneamino]benzenesulfonamide
SMILESCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnn2ccccc12
InChIInChI=1S/C16H15N5O4S/c1-12-6-7-14(21(22)23)9-16(12)26(24,25)19(2)17-10-13-11-18-20-8-4-3-5-15(13)20/h3-11H,1-2H3/b17-10+
InChIKeyRUBBXXFQGVQOIZ-LICLKQGHSA-N
XLogP2.21
TPSA110.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-nitrobenzenesulfonamide
CID 2931040
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 25172062
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-(2-hydroxyethyl)-2-methyl-5-nitrobenzenesulfonamide
CID 25172477
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-ethyl-2-methyl-5-nitrobenzenesulfonamide
CID 25172661
2-chloro-N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-N-methyl-5-nitrobenzenesulfonamide
CID 57397253
N,2-dimethyl-N-[(E)-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-5-nitrobenzenesulfonamide
CID 122188271
N-[(E)-(5-cyanopyrazolo[1,5-a]pyrimidin-3-yl)methylideneamino]-N,2-dimethyl-5-nitrobenzenesulfonamide
CID 122188275
3-[(E)-[methyl-(2-methyl-5-nitrophenyl)sulfonylhydrazinylidene]methyl]pyrazolo[1,5-a]pyridine-5-carboxamide
CID 25170000
2-((2-Methyl-5-nitrophenyl)sulfonyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 16032932
1-(2-Fluorophenyl)-2-((2-methyl-5-nitrophenyl)sulfonyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 16032945
N,2-dimethyl-5-nitro-N-[(E)-[5-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]methylideneamino]benzenesulfonamide
CID 25169784
N-[(E)-(5-cyanopyrazolo[1,5-a]pyridin-3-yl)methylideneamino]-2-fluoro-N-methyl-5-nitrobenzenesulfonamide
CID 25170003

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-5-nitro-N-[(E)-pyrazolo[1,5-a]pyridin-3-ylmethylideneamino]benzenesulfonamide?
The IUPAC name of N,2-dimethyl-5-nitro-N-[(E)-pyrazolo[1,5-a]pyridin-3-ylmethylideneamino]benzenesulfonamide (CID 25171641) is N,2-dimethyl-5-nitro-N-[(E)-pyrazolo[1,5-a]pyridin-3-ylmethylideneamino]benzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-5-nitro-N-[(E)-pyrazolo[1,5-a]pyridin-3-ylmethylideneamino]benzenesulfonamide?
The canonical SMILES for N,2-dimethyl-5-nitro-N-[(E)-pyrazolo[1,5-a]pyridin-3-ylmethylideneamino]benzenesulfonamide is Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)/N=C/c1cnn2ccccc12.
What is the InChIKey of N,2-dimethyl-5-nitro-N-[(E)-pyrazolo[1,5-a]pyridin-3-ylmethylideneamino]benzenesulfonamide?
The InChIKey is RUBBXXFQGVQOIZ-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15N5O4S/c1-12-6-7-14(21(22)23)9-16(12)26(24,25)19(2)17-10-13-11-18-20-8-4-3-5-15(13)20/h3-11H,1-2H3/b17-10+.
What are the key properties of N,2-dimethyl-5-nitro-N-[(E)-pyrazolo[1,5-a]pyridin-3-ylmethylideneamino]benzenesulfonamide?
N,2-dimethyl-5-nitro-N-[(E)-pyrazolo[1,5-a]pyridin-3-ylmethylideneamino]benzenesulfonamide has a molecular weight of 373.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-5-nitro-N-[(E)-pyrazolo[1,5-a]pyridin-3-ylmethylideneamino]benzenesulfonamide is sourced from PubChem (CID 25171641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).