4-[5-(hydroxymethyl)-3-naphthalen-2-ylpyrazol-1-yl]benzenesulfonamide

C20H17N3O3S — CID 71578904

IUPAC4-[5-(hydroxymethyl)-3-naphthalen-2-ylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccc4ccccc4c3)cc2CO)cc1
InChIInChI=1S/C20H17N3O3S/c21-27(25,26)19-9-7-17(8-10-19)23-18(13-24)12-20(22-23)16-6-5-14-3-1-2-4-15(14)11-16/h1-12,24H,13H2,(H2,21,25,26)
InChIKeyNQJIPJCUNGQYHO-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.83
Rot. Bonds4

About 4-[5-(hydroxymethyl)-3-naphthalen-2-ylpyrazol-1-yl]benzenesulfonamide

4-[5-(hydroxymethyl)-3-naphthalen-2-ylpyrazol-1-yl]benzenesulfonamide (PubChem CID 71578904) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-[5-(hydroxymethyl)-3-naphthalen-2-ylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(hydroxymethyl)-3-naphthalen-2-ylpyrazol-1-yl]benzenesulfonamide
PubChem CID71578904
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name4-[5-(hydroxymethyl)-3-naphthalen-2-ylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(-c3ccc4ccccc4c3)cc2CO)cc1
InChIInChI=1S/C20H17N3O3S/c21-27(25,26)19-9-7-17(8-10-19)23-18(13-24)12-20(22-23)16-6-5-14-3-1-2-4-15(14)11-16/h1-12,24H,13H2,(H2,21,25,26)
InChIKeyNQJIPJCUNGQYHO-UHFFFAOYSA-N
XLogP2.83
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4'-Hydroxycelecoxib
CID 9908776
2-Hydroxymethyl-4-(5-m-tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide
CID 9822883
4-(5-(4-chlorophenyl)-3-hydroxymethyl-1H-pyrazol-1-yl]benzenesulfonamide
CID 9947165
4-(3-Hydroxymethyl-5-phenyl-pyrazol-1-yl)-benzenesulfonamide
CID 10471772
4-[5-(4-Bromophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide
CID 22316829
2-Hydroxymethyl-4-(5-p-tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide
CID 44364629
3-[3-(Hydroxymethyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
CID 67662627
4-(3-Hydroxymethyl-5-p-tolyl-pyrazol-1-yl)-benzenesulfonamide
CID 68819643
4-[5-(4-Cyanophenyl)-3-(hydroxymethyl)pyrazol-1-yl]benzenesulfonamide
CID 71578723
4-[3-(Hydroxymethyl)-5-naphthalen-1-ylpyrazol-1-yl]benzenesulfonamide
CID 71578726
4-[3-(Hydroxymethyl)-5-naphthalen-2-ylpyrazol-1-yl]benzenesulfonamide
CID 71578808
4-[3-(Hydroxymethyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]benzenesulfonamide
CID 71578809

Frequently Asked Questions

What is the IUPAC name of 4-[5-(hydroxymethyl)-3-naphthalen-2-ylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(hydroxymethyl)-3-naphthalen-2-ylpyrazol-1-yl]benzenesulfonamide (CID 71578904) is 4-[5-(hydroxymethyl)-3-naphthalen-2-ylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(hydroxymethyl)-3-naphthalen-2-ylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(hydroxymethyl)-3-naphthalen-2-ylpyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(-c3ccc4ccccc4c3)cc2CO)cc1.
What is the InChIKey of 4-[5-(hydroxymethyl)-3-naphthalen-2-ylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is NQJIPJCUNGQYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c21-27(25,26)19-9-7-17(8-10-19)23-18(13-24)12-20(22-23)16-6-5-14-3-1-2-4-15(14)11-16/h1-12,24H,13H2,(H2,21,25,26).
What are the key properties of 4-[5-(hydroxymethyl)-3-naphthalen-2-ylpyrazol-1-yl]benzenesulfonamide?
4-[5-(hydroxymethyl)-3-naphthalen-2-ylpyrazol-1-yl]benzenesulfonamide has a molecular weight of 379.44 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(hydroxymethyl)-3-naphthalen-2-ylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 71578904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).