N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide

C17H16FN3O2S — CID 22203554

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccn(Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H16FN3O2S/c18-16-8-6-14(7-9-16)12-21-11-10-17(19-21)20-24(22,23)13-15-4-2-1-3-5-15/h1-11H,12-13H2,(H,19,20)
InChIKeySJXQVOSEZKIYAS-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.01
Rot. Bonds6

About N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide (PubChem CID 22203554) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide
PubChem CID22203554
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccn(Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H16FN3O2S/c18-16-8-6-14(7-9-16)12-21-11-10-17(19-21)20-24(22,23)13-15-4-2-1-3-5-15/h1-11H,12-13H2,(H,19,20)
InChIKeySJXQVOSEZKIYAS-UHFFFAOYSA-N
XLogP3.01
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide (CID 22203554) is N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1ccn(Cc2ccc(F)cc2)n1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide?
The InChIKey is SJXQVOSEZKIYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c18-16-8-6-14(7-9-16)12-21-11-10-17(19-21)20-24(22,23)13-15-4-2-1-3-5-15/h1-11H,12-13H2,(H,19,20).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide has a molecular weight of 345.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 22203554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).