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

C17H17FN4O2S — CID 90555753

IUPAC4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1cc(-c2ccccn2)n(C)n1
InChIInChI=1S/C17H17FN4O2S/c1-12-9-13(18)6-7-17(12)25(23,24)20-11-14-10-16(22(2)21-14)15-5-3-4-8-19-15/h3-10,20H,11H2,1-2H3
InChIKeyGOLZGJPXKYHIKM-UHFFFAOYSA-N
MW360.41 g/mol
LogP2.41
Rot. Bonds5

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

4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 90555753) 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-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID90555753
Molecular FormulaC17H17FN4O2S
Molecular Weight360.41 g/mol
Exact Mass360.11
IUPAC Name4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCc1cc(-c2ccccn2)n(C)n1
InChIInChI=1S/C17H17FN4O2S/c1-12-9-13(18)6-7-17(12)25(23,24)20-11-14-10-16(22(2)21-14)15-5-3-4-8-19-15/h3-10,20H,11H2,1-2H3
InChIKeyGOLZGJPXKYHIKM-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

5-fluoro-2-methoxy-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555780
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 90556104
2-chloro-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555758
2,3,4,5,6-pentamethyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide
CID 90555807
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]pyridine-3-sulfonamide
CID 90555730
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90555805
5-bromo-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
CID 90555814
4-fluoro-2-methyl-N-[(6-phenylpyrimidin-4-yl)methyl]benzenesulfonamide
CID 122262233
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993014
4-fluoro-2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]benzenesulfonamide
CID 119102922
4-fluoro-2-methyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756676
4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
CID 110672303

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide (CID 90555753) is 4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCc1cc(-c2ccccn2)n(C)n1.
What is the InChIKey of 4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is GOLZGJPXKYHIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S/c1-12-9-13(18)6-7-17(12)25(23,24)20-11-14-10-16(22(2)21-14)15-5-3-4-8-19-15/h3-10,20H,11H2,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide?
4-fluoro-2-methyl-N-[(1-methyl-5-pyridin-2-ylpyrazol-3-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-5-pyridin-2-ylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 90555753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).