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

C22H21N3O3S — CID 22204570

IUPAC4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cnn(Cc3cccc4ccccc34)c2)cc1
InChIInChI=1S/C22H21N3O3S/c1-2-28-20-10-12-21(13-11-20)29(26,27)24-19-14-23-25(16-19)15-18-8-5-7-17-6-3-4-9-22(17)18/h3-14,16,24H,2,15H2,1H3
InChIKeyBREOCHHXSDYMOZ-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.28
Rot. Bonds7

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

4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 22204570) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide
PubChem CID22204570
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2cnn(Cc3cccc4ccccc34)c2)cc1
InChIInChI=1S/C22H21N3O3S/c1-2-28-20-10-12-21(13-11-20)29(26,27)24-19-14-23-25(16-19)15-18-8-5-7-17-6-3-4-9-22(17)18/h3-14,16,24H,2,15H2,1H3
InChIKeyBREOCHHXSDYMOZ-UHFFFAOYSA-N
XLogP4.28
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide
CID 22204580
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 22203135
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 22204834
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-ethylbenzenesulfonamide
CID 22204533
3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-1-phenylpyrazole-4-sulfonamide
CID 22204607
4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 17022744
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 22205075
1-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-4-sulfonamide
CID 22206862
5-[(4-ethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19397913
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-(naphthalen-1-ylmethyl)aniline
CID 964344

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide (CID 22204570) is 4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2cnn(Cc3cccc4ccccc34)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is BREOCHHXSDYMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-2-28-20-10-12-21(13-11-20)29(26,27)24-19-14-23-25(16-19)15-18-8-5-7-17-6-3-4-9-22(17)18/h3-14,16,24H,2,15H2,1H3.
What are the key properties of 4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 407.50 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 22204570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).