3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide

C16H16N4O4S — CID 36618671

IUPAC3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)cc1OC
InChIInChI=1S/C16H16N4O4S/c1-23-14-6-5-13(10-15(14)24-2)25(21,22)19-12-4-7-16(17-11-12)20-9-3-8-18-20/h3-11,19H,1-2H3
InChIKeyDFVYVJXAZBRXDW-UHFFFAOYSA-N
MW360.40 g/mol
LogP2.09
Rot. Bonds6

About 3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide

3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide (PubChem CID 36618671) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
PubChem CID36618671
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Name3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)cc1OC
InChIInChI=1S/C16H16N4O4S/c1-23-14-6-5-13(10-15(14)24-2)25(21,22)19-12-4-7-16(17-11-12)20-9-3-8-18-20/h3-11,19H,1-2H3
InChIKeyDFVYVJXAZBRXDW-UHFFFAOYSA-N
XLogP2.09
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-3-nitro-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 36618610
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
3,4-dimethoxy-N-(6-phenyl-3-pyridinyl)benzenesulfonamide
CID 110406353
3,4-dimethoxy-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 22205258
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
CID 113031264
5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 30868177
N-(2-methoxypyrimidin-5-yl)-4-pyrazol-1-ylbenzenesulfonamide
CID 122301720
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide (CID 36618671) is 3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)nc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide?
The InChIKey is DFVYVJXAZBRXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-23-14-6-5-13(10-15(14)24-2)25(21,22)19-12-4-7-16(17-11-12)20-9-3-8-18-20/h3-11,19H,1-2H3.
What are the key properties of 3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide?
3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide has a molecular weight of 360.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 36618671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).