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

C22H21N3O2S — CID 22206833

IUPAC4-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccn(Cc3cccc4ccccc34)n2)cc1
InChIInChI=1S/C22H21N3O2S/c1-2-17-10-12-20(13-11-17)28(26,27)24-22-14-15-25(23-22)16-19-8-5-7-18-6-3-4-9-21(18)19/h3-15H,2,16H2,1H3,(H,23,24)
InChIKeyPBMMFNGOPPZFLA-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.45
Rot. Bonds6

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

4-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 22206833) has the molecular formula C22H21N3O2S and a molecular weight of 391.50 g/mol. Its IUPAC name is 4-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID22206833
Molecular FormulaC22H21N3O2S
Molecular Weight391.50 g/mol
Exact Mass391.14
IUPAC Name4-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccn(Cc3cccc4ccccc34)n2)cc1
InChIInChI=1S/C22H21N3O2S/c1-2-17-10-12-20(13-11-17)28(26,27)24-22-14-15-25(23-22)16-19-8-5-7-18-6-3-4-9-21(18)19/h3-15H,2,16H2,1H3,(H,23,24)
InChIKeyPBMMFNGOPPZFLA-UHFFFAOYSA-N
XLogP4.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 17022744
1-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-4-sulfonamide
CID 22206862
3,4-difluoro-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 22206847
4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 19578079
1-(4-ethylphenyl)-3-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]thiourea
CID 19399205
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
4-butan-2-yl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22202090
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-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylacetamide
CID 19394819
N-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22202106

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide (CID 22206833) is 4-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccn(Cc3cccc4ccccc34)n2)cc1.
What is the InChIKey of 4-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is PBMMFNGOPPZFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2S/c1-2-17-10-12-20(13-11-17)28(26,27)24-22-14-15-25(23-22)16-19-8-5-7-18-6-3-4-9-21(18)19/h3-15H,2,16H2,1H3,(H,23,24).
What are the key properties of 4-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide?
4-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 391.50 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 22206833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).