3-(benzenesulfonamido)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide

C22H19N5O3S — CID 46431752

IUPAC3-(benzenesulfonamido)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1cccnc1-n1cccn1)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H19N5O3S/c28-22(24-16-18-8-5-12-23-21(18)27-14-6-13-25-27)17-7-4-9-19(15-17)26-31(29,30)20-10-2-1-3-11-20/h1-15,26H,16H2,(H,24,28)
InChIKeyCPWYRDOZHDYUBY-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.00
Rot. Bonds7

About 3-(benzenesulfonamido)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide

3-(benzenesulfonamido)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide (PubChem CID 46431752) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
PubChem CID46431752
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC Name3-(benzenesulfonamido)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1cccnc1-n1cccn1)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C22H19N5O3S/c28-22(24-16-18-8-5-12-23-21(18)27-14-6-13-25-27)17-7-4-9-19(15-17)26-31(29,30)20-10-2-1-3-11-20/h1-15,26H,16H2,(H,24,28)
InChIKeyCPWYRDOZHDYUBY-UHFFFAOYSA-N
XLogP3.00
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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3-(benzenesulfonamido)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
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5-(benzenesulfonylmethyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]furan-2-carboxamide
CID 55653064
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3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
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3-(benzenesulfonamido)-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 92677705
3-(benzenesulfonamido)-N-[(4-bromothiophen-2-yl)methyl]benzamide
CID 55866733
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
3-(benzenesulfonylmethyl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]benzamide
CID 55774654
N-benzyl-3-[(3-fluorophenyl)sulfamoyl]benzamide
CID 109064538
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide (CID 46431752) is 3-(benzenesulfonamido)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide is O=C(NCc1cccnc1-n1cccn1)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is CPWYRDOZHDYUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c28-22(24-16-18-8-5-12-23-21(18)27-14-6-13-25-27)17-7-4-9-19(15-17)26-31(29,30)20-10-2-1-3-11-20/h1-15,26H,16H2,(H,24,28).
What are the key properties of 3-(benzenesulfonamido)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide?
3-(benzenesulfonamido)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 433.49 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 46431752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).