4-methoxy-3-nitro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide

C15H13N5O5S — CID 36618610

IUPAC4-methoxy-3-nitro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13N5O5S/c1-25-14-5-4-12(9-13(14)20(21)22)26(23,24)18-11-3-6-15(16-10-11)19-8-2-7-17-19/h2-10,18H,1H3
InChIKeyUDEWSGCFMNJXLF-UHFFFAOYSA-N
MW375.37 g/mol
LogP1.98
Rot. Bonds6

About 4-methoxy-3-nitro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide

4-methoxy-3-nitro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide (PubChem CID 36618610) has the molecular formula C15H13N5O5S and a molecular weight of 375.37 g/mol. Its IUPAC name is 4-methoxy-3-nitro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-nitro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
PubChem CID36618610
Molecular FormulaC15H13N5O5S
Molecular Weight375.37 g/mol
Exact Mass375.06
IUPAC Name4-methoxy-3-nitro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H13N5O5S/c1-25-14-5-4-12(9-13(14)20(21)22)26(23,24)18-11-3-6-15(16-10-11)19-8-2-7-17-19/h2-10,18H,1H3
InChIKeyUDEWSGCFMNJXLF-UHFFFAOYSA-N
XLogP1.98
TPSA129.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 36618671
dimethyl 5-[(6-pyrazol-1-yl-3-pyridinyl)sulfamoyl]benzene-1,3-dicarboxylate
CID 30766155
4-chloro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499347
4-propan-2-yl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 25499352
4-(2-methylpropyl)-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 39328743
N-(4-chloro-3-nitrophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 18278938
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-3-nitrobenzenesulfonamide
CID 5031227
4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7938669
2-methoxy-4-nitro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzenesulfonamide
CID 55895321
4-methoxy-3-nitro-N-(2-phenylphenyl)benzenesulfonamide
CID 7939180
3,4-difluoro-N-(3-fluoro-4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 22465638
N,4-dimethoxy-3-nitrobenzenesulfonamide
CID 60700810

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-nitro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-3-nitro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide (CID 36618610) is 4-methoxy-3-nitro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-nitro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-nitro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-3-nitro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide?
The InChIKey is UDEWSGCFMNJXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O5S/c1-25-14-5-4-12(9-13(14)20(21)22)26(23,24)18-11-3-6-15(16-10-11)19-8-2-7-17-19/h2-10,18H,1H3.
What are the key properties of 4-methoxy-3-nitro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide?
4-methoxy-3-nitro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide has a molecular weight of 375.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-nitro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 36618610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).