4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide

C21H19N3O3S — CID 17022744

IUPAC4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccn(Cc3cccc4ccccc34)n2)cc1
InChIInChI=1S/C21H19N3O3S/c1-27-18-9-11-19(12-10-18)28(25,26)23-21-13-14-24(22-21)15-17-7-4-6-16-5-2-3-8-20(16)17/h2-14H,15H2,1H3,(H,22,23)
InChIKeyLXQPPTILBRQNJG-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.89
Rot. Bonds6

About 4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide

4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 17022744) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is 4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID17022744
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccn(Cc3cccc4ccccc34)n2)cc1
InChIInChI=1S/C21H19N3O3S/c1-27-18-9-11-19(12-10-18)28(25,26)23-21-13-14-24(22-21)15-17-7-4-6-16-5-2-3-8-20(16)17/h2-14H,15H2,1H3,(H,22,23)
InChIKeyLXQPPTILBRQNJG-UHFFFAOYSA-N
XLogP3.89
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 22206833
3,4-difluoro-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 22206847
1-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-4-sulfonamide
CID 22206862
4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 19578079
3,4-dimethoxy-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202096
4-methoxy-N-[2-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 46427546
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 22206859
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22203582
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19398605
4-tert-butyl-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22203594
N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22202106
4-butan-2-yl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202090

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide (CID 17022744) is 4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccn(Cc3cccc4ccccc34)n2)cc1.
What is the InChIKey of 4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is LXQPPTILBRQNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-27-18-9-11-19(12-10-18)28(25,26)23-21-13-14-24(22-21)15-17-7-4-6-16-5-2-3-8-20(16)17/h2-14H,15H2,1H3,(H,22,23).
What are the key properties of 4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide?
4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 393.47 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 17022744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).