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

C20H15F2N3O2S — CID 22206847

IUPAC3,4-difluoro-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2cccc3ccccc23)n1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H15F2N3O2S/c21-18-9-8-16(12-19(18)22)28(26,27)24-20-10-11-25(23-20)13-15-6-3-5-14-4-1-2-7-17(14)15/h1-12H,13H2,(H,23,24)
InChIKeyXWMAUFWCWOQROL-UHFFFAOYSA-N
MW399.42 g/mol
LogP4.16
Rot. Bonds5

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

3,4-difluoro-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 22206847) has the molecular formula C20H15F2N3O2S and a molecular weight of 399.42 g/mol. Its IUPAC name is 3,4-difluoro-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID22206847
Molecular FormulaC20H15F2N3O2S
Molecular Weight399.42 g/mol
Exact Mass399.09
IUPAC Name3,4-difluoro-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccn(Cc2cccc3ccccc23)n1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H15F2N3O2S/c21-18-9-8-16(12-19(18)22)28(26,27)24-20-10-11-25(23-20)13-15-6-3-5-14-4-1-2-7-17(14)15/h1-12H,13H2,(H,23,24)
InChIKeyXWMAUFWCWOQROL-UHFFFAOYSA-N
XLogP4.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 54.16
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
4-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 22206833
N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-3,4-difluorobenzenesulfonamide
CID 22203801
1-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]pyrazole-4-sulfonamide
CID 22206862
N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide
CID 22205652
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 22206859
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-sulfonamide
CID 4775946
4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 19578079
2,5-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 17376579
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide
CID 22203608
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 22203582
N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]acetamide
CID 19398605

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide (CID 22206847) is 3,4-difluoro-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide is O=S(=O)(Nc1ccn(Cc2cccc3ccccc23)n1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is XWMAUFWCWOQROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2S/c21-18-9-8-16(12-19(18)22)28(26,27)24-20-10-11-25(23-20)13-15-6-3-5-14-4-1-2-7-17(14)15/h1-12H,13H2,(H,23,24).
What are the key properties of 3,4-difluoro-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide?
3,4-difluoro-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 399.42 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 22206847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).