4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide

C17H17FN4O2S — CID 119102922

IUPAC4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1cc(-c2cccnc2)nn1C
InChIInChI=1S/C17H17FN4O2S/c1-12-8-14(18)5-6-17(12)25(23,24)20-11-15-9-16(21-22(15)2)13-4-3-7-19-10-13/h3-10,20H,11H2,1-2H3
InChIKeyAJCGOFJAZOKXAF-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.41
Rot. Bonds5

About 4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide

4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide (PubChem CID 119102922) has the molecular formula C17H17FN4O2S and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide
PubChem CID119102922
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1cc(-c2cccnc2)nn1C
InChIInChI=1S/C17H17FN4O2S/c1-12-8-14(18)5-6-17(12)25(23,24)20-11-15-9-16(21-22(15)2)13-4-3-7-19-10-13/h3-10,20H,11H2,1-2H3
InChIKeyAJCGOFJAZOKXAF-UHFFFAOYSA-N
XLogP2.41
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 121020128
4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555753
4-fluoro-2-methyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110285025
N-[2-(benzenesulfonyl)-2-pyridin-3-ylethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 20995722
4-fluoro-2-methyl-N-[(1-methyl-2-oxo-3-pyridinyl)methyl]benzenesulfonamide
CID 110730424
4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122262233
1-(2,6-difluorophenyl)-3-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]urea
CID 119102906
4-fluoro-N-[(4-imidazol-1-ylphenyl)methyl]-2-methylbenzenesulfonamide
CID 95176032
4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716621
3-(2-methylphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide
CID 171130635
4-fluoro-2-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzenesulfonamide
CID 24656479
(E)-3-(2-fluorophenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]prop-2-enamide
CID 119102901

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide (CID 119102922) is 4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCc1cc(-c2cccnc2)nn1C.
What is the InChIKey of 4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is AJCGOFJAZOKXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-12-8-14(18)5-6-17(12)25(23,24)20-11-15-9-16(21-22(15)2)13-4-3-7-19-10-13/h3-10,20H,11H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 360.41 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 119102922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).