4-(1H-indazol-5-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide

C19H16N4O2S — CID 170691619

IUPAC4-(1H-indazol-5-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1ccc(-c2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C19H16N4O2S/c24-26(25,22-12-14-7-9-20-10-8-14)18-4-1-15(2-5-18)16-3-6-19-17(11-16)13-21-23-19/h1-11,13,22H,12H2,(H,21,23)
InChIKeyZYSURJRSLFLHGG-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.10
Rot. Bonds5

About 4-(1H-indazol-5-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide

4-(1H-indazol-5-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 170691619) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 4-(1H-indazol-5-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1H-indazol-5-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID170691619
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name4-(1H-indazol-5-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1ccc(-c2ccc3[nH]ncc3c2)cc1
InChIInChI=1S/C19H16N4O2S/c24-26(25,22-12-14-7-9-20-10-8-14)18-4-1-15(2-5-18)16-3-6-19-17(11-16)13-21-23-19/h1-11,13,22H,12H2,(H,21,23)
InChIKeyZYSURJRSLFLHGG-UHFFFAOYSA-N
XLogP3.10
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-phenylphenyl)ethynyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 144614843
4-(3-methyl-4-pyridinyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 165409513
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide
CID 110760126
4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165638
2,3-dioxo-N-(pyridin-4-ylmethyl)-1H-indole-5-sulfonamide
CID 59763032
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421821
N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 35764559
3-amino-4-bromo-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 115328707
1H-indazole-5-sulfonamide
CID 22567171
N-(1H-indazol-5-yl)-4-nitrobenzenesulfonamide
CID 39832274
4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165646
4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106031009

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indazol-5-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(1H-indazol-5-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 170691619) is 4-(1H-indazol-5-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(1H-indazol-5-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(1H-indazol-5-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccncc1)c1ccc(-c2ccc3[nH]ncc3c2)cc1.
What is the InChIKey of 4-(1H-indazol-5-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is ZYSURJRSLFLHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c24-26(25,22-12-14-7-9-20-10-8-14)18-4-1-15(2-5-18)16-3-6-19-17(11-16)13-21-23-19/h1-11,13,22H,12H2,(H,21,23).
What are the key properties of 4-(1H-indazol-5-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
4-(1H-indazol-5-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indazol-5-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 170691619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).